SCHEMBL28110139

SCHEMBL28110139

CCCCC(C)N(CC)CC.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CNR2 P34972 2/20 0.41
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALB P02768 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9720853 0.83 MCHR1 (0.45) CA2CA9CA12CNR2MCHR1
SCHEMBL3408586 0.80 CYP1A2 (0.43) CA2CA9CA12ALDH1A1LMNA
Hexane SCHEMBL7122950 0.79 MCHR1 (0.53) CA2CA9CA12CNR2MCHR1
Pentane SCHEMBL28482247 0.79 ALDH1A1 (0.50) CA2CA9CA12MCHR1ALDH1A1
Sulfuric Acid SCHEMBL28110140 0.79 TP53 (0.48) CA2PSEN1PSEN2APH1BNCSTN
Octane SCHEMBL356741 0.78 MCHR1 (0.56) CA2CA9CA12CNR2MCHR1
Dodecane SCHEMBL7126605 0.78 MCHR1 (0.56) CA2CA9CA12CNR2MCHR1
Octane SCHEMBL8462698 0.78 MCHR1 (0.56) CA2CA9CA12CNR2MCHR1
Heptane SCHEMBL8501523 0.78 MCHR1 (0.56) CA2CA9CA12CNR2MCHR1
Tetradecane SCHEMBL29089041 0.78 MCHR1 (0.56) CA2CA9CA12CNR2MCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114794230-B Chitosan/vegetable oil/polyphenol derivative and preparation method and application thereof 中国热带农业科学院南亚热带作物研究所 2022-11-25 CN claimed
CN-114794230-A Chitosan/vegetable oil/polyphenol derivative and preparation method and application thereof 中国热带农业科学院南亚热带作物研究所 2022-07-29 CN claimed
CN-112142593-B Preparation method of isobornyl (meth) acrylate of biological origin 华南农业大学 2021-07-06 CN claimed
CN-112142593-A Preparation method of isobornyl (meth) acrylate of biological origin 华南农业大学 2020-12-29 CN claimed
CN-107189750-B Tung oil-based biodegradable UV (ultraviolet) curing adhesive and preparation method and application thereof 华南农业大学 2020-05-15 CN claimed
CN-107418501-B The biodegradable UV curing adhesive of vegetable oil-based polyols type and preparation method 华南农业大学 2019-11-15 CN claimed
CN-106810514-B Based on UV photocatalysis polyunsaturated vegetable oil polylol and preparation method and application 华南农业大学 2019-05-10 CN claimed
CN-106146307-B Polyunsaturated vegetable oil alkylates and preparation method based on UV light-catalyzed reaction 华南农业大学 2019-05-07 CN claimed
CN-107418501-A The biodegradable UV curing adhesives of vegetable oil-based polyols type and preparation method 华南农业大学 2017-12-01 CN claimed
CN-107189750-A A kind of biodegradable UV curing adhesives of tung oil base and its preparation method and application 华南农业大学 2017-09-22 CN claimed
CN-106810514-A Based on UV photocatalysis polyunsaturated vegetable oil polylols and preparation method and application 华南农业大学 2017-06-09 CN claimed
CN-106146307-A Polyunsaturated vegetable oil alkylates based on UV light-catalyzed reaction and preparation method 华南农业大学 2016-11-23 CN claimed
CN-116285020-B Preparation method of chitosan/phenolic acid composite coating film 中国热带农业科学院农产品加工研究所 2023-11-03 CN disclosed
CN-116285020-A Preparation method of chitosan/phenolic acid composite coating film 中国热带农业科学院农产品加工研究所 2023-06-23 CN disclosed
CN-114794231-B Chitosan plant essential oil microcapsule composite coating preservative and preparation method and application thereof 中国热带农业科学院南亚热带作物研究所 2023-03-21 CN disclosed
CN-114794230-B Chitosan/vegetable oil/polyphenol derivative and preparation method and application thereof 中国热带农业科学院南亚热带作物研究所 2022-11-25 CN disclosed
CN-112142593-B Preparation method of isobornyl (meth) acrylate of biological origin 华南农业大学 2021-07-06 CN disclosed
CN-112142593-A Preparation method of isobornyl (meth) acrylate of biological origin 华南农业大学 2020-12-29 CN disclosed
CN-107189750-B Tung oil-based biodegradable UV (ultraviolet) curing adhesive and preparation method and application thereof 华南农业大学 2020-05-15 CN disclosed
CN-105254499-B A kind of phenolic hydroxy group eleostearate alkylated compound and its preparation method and application 华南农业大学 2017-07-21 CN disclosed