SCHEMBL1378058

SCHEMBL1378058

C=CCCC(=O)OCCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
CYP19A1 P11511 1/20 0.41
FAAH O00519 4/20 0.41
MGLL Q99685 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7956998 0.87 PTPN1 (0.44) TDP1FAAHMGLLTSHRLMNA
SCHEMBL873104 0.86 ALDH1A1 (0.57) TDP1FAAHMGLLTSHRLMNA
SCHEMBL10401223 0.82 TSHR (0.55) TDP1FAAHMGLLTSHRLMNA
SCHEMBL28343727 0.82 TDP1 (0.45) TDP1CYP19A1FAAHMGLLTSHR
SCHEMBL333015 0.82 ADRA2A (0.50) TDP1CYP19A1LMNAALDH1A1CA12
SCHEMBL11330333 0.82 ALDH1A1 (0.42) TDP1FAAHMGLLTSHRLMNA
SCHEMBL27917837 0.81 CYP19A1 (0.41) TDP1CYP19A1TSHRLMNAALDH1A1
SCHEMBL8462926 0.81 TDP1 (0.54) TDP1CYP19A1TSHRLMNAALDH1A1
SCHEMBL2137245 0.80 ALDH1A1 (0.41) TDP1FAAHMGLLTSHRLMNA
SCHEMBL4292777 0.80 CYP19A1 (0.49) TDP1CYP19A1LMNAALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479549-A Aromatic substance mixture containing 8, 8-dimethyl-6, 10-dioxaspiro [4.5] decane 西姆莱斯有限公司 2020-07-31 CN claimed
CN-221268088-U Isopentyloxyacetic acid acidizing device in check-up ester reaction 河南亿森源生物科技有限公司 2024-07-05 CN disclosed
CN-118234732-A Novel sensory compounds 国际香料和香精公司 2024-06-21 CN disclosed
CN-118159632-A Perfume and perfume mixture 西姆莱斯股份公司 2024-06-07 CN disclosed
CN-118159527-A Novel furan compounds and their use in perfume formulations 国际香料和香精公司 2024-06-07 CN disclosed
CN-118141701-A Composition containing benzoic acid derivative or furoic acid derivative and use of the derivative for emulsion and foam stability 西姆莱斯股份公司 2024-06-07 CN disclosed
CN-118119372-A Malodor-counteracting compositions, compositions and uses thereof 国际香料和香精公司 2024-05-31 CN disclosed
CN-113766969-B Method for preparing microcapsules 西姆莱斯股份公司 2024-05-14 CN disclosed
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN disclosed
CN-113710331-B Antimicrobial mixture 西姆莱斯股份公司 2024-03-22 CN disclosed
CN-111631216-B Antimicrobial compositions 西姆莱斯股份公司 2021-03-16 CN disclosed
CN-112368256-A Perfume and fragrance materials 高砂香料工业株式会社 2021-02-12 CN disclosed
CN-112294853-A Sesuvium portulaca extract and application thereof 西姆莱斯股份公司 2021-02-02 CN disclosed
CN-105555366-B Sesuvium portulaca extract and application thereof 西姆莱斯股份公司 2020-12-01 CN disclosed
CN-111936120-A Mixture comprising protein extracts for treating human skin and/or hair 西姆莱斯股份公司 2020-11-13 CN disclosed
CN-111631216-A Antimicrobial compositions 西姆莱斯股份公司 2020-09-08 CN disclosed
CN-111479549-A Aromatic substance mixture containing 8, 8-dimethyl-6, 10-dioxaspiro [4.5] decane 西姆莱斯有限公司 2020-07-31 CN disclosed
CN-104046513-B Decenal mixture and use thereof in perfume compositions 国际香料和香精公司 2020-05-05 CN disclosed
CN-111018680-A Novel cyclopropyl methoxy derivative 国际香料和香精公司 2020-04-17 CN disclosed
JP-2011246364-A CLOTHES PEST EGG HATCHING INHIBITOR AND PEST CONTROLLING METHOD USING THE SAME DAINIPPON JOCHUGIKU CO LTD 2011-12-08 JP disclosed