SCHEMBL28656772

SCHEMBL28656772

CCCC[PH](CCCC)(CCCC)CCCC.Cc1ccc(S(=O)(=O)O)cc1.[NaH]

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
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SNCA P37840 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL7528406 0.98 ALDH1A1 (0.44) ALDH1A1LMNACYP2C9TDP1ALB
Hexadecylamine SCHEMBL7554401 0.88 MCHR1 (0.43) ALDH1A1LMNACYP2C9TDP1ALB
SCHEMBL28996834 0.87 ALDH1A1 (0.43) ALDH1A1LMNACYP2C9TDP1ALB
Hexane SCHEMBL7122950 0.86 MCHR1 (0.53) ALDH1A1LMNACYP2C9TDP1ALB
Pentane SCHEMBL28482247 0.86 ALDH1A1 (0.50) ALDH1A1LMNACYP2C9TDP1ALB
Heptane SCHEMBL8501523 0.84 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Decane SCHEMBL17004268 0.84 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Dodecane SCHEMBL7126605 0.84 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Octane SCHEMBL356741 0.84 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Octane SCHEMBL8462698 0.84 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603737-B Method for extracting and separating liquiritin and glycyrrhizic acid 中国农业科学院麻类研究所 2023-01-24 — — CN claimed
CN-113603737-B Method for extracting and separating liquiritin and glycyrrhizic acid 中国农业科学院麻类研究所 2023-01-24 — — CN disclosed
CN-113603737-A Method for extracting and separating liquiritin and glycyrrhizic acid 中国农业科学院麻类研究所 2021-11-05 — — CN disclosed
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