SCHEMBL7525396

SCHEMBL7525396

COc1cc(CCC(=O)ON2C(=O)CCC2=O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.58
OR51E2 Q9H255 1/20 0.58
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C8 P10632 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2B6 P20813 3/20 0.51
CYP2C19 P33261 3/20 0.51
TAAR1 Q96RJ0 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NFKB1 P19838 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPN1 P18031 1/20 0.48
HTR1A P08908 3/20 0.47
TRPV1 Q8NER1 3/20 0.47

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
SCHEMBL25695326 0.90 ALDH1A1 (0.50) ALDH1A1POLB
SCHEMBL7522573 0.88 TSHR (0.58) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL7525080 0.85 APP (0.56) ALOX5TAAR1MAPK1LMNAGAA
SCHEMBL4290267 0.85 APP (0.43) ALOX5OR51E2TSHR
SCHEMBL23048320 0.82 ALDH1A1 (0.46) ALOX5OR51E2GAAALDH1A1
SCHEMBL11939898 0.82 APP (0.43) ALOX5OR51E2CYP1A2CYP3A4CYP2C8
SCHEMBL3383680 0.82 APP (0.43) ALOX5OR51E2CYP1A2CYP2C9MAPK1
SCHEMBL11258106 0.82 APP (0.43) ALOX5OR51E2
SCHEMBL19658184 0.81 TDP1 (0.42) TDP1
SCHEMBL7453768 0.80 F2RL1 (0.53) TSHRMAPK1LMNAALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900781-B1 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 2002-03-20 EP claimed
US-6117365-A N-(3,4-DIHYDROXYBENZYL)-3,5-DIMETHOXY-4-HYDROXY-E-CINNAMIDE, FOR EXAMPLE; USE AS ANTIOXIDANTS OR AS FREE-RADICAL SCAVENGERS, IN PARTICULAR IN THE COSMETIC OR DERMATOLOGICAL FIELDS, AND IN FOODS HAARMANN & REIMER GMBH (DE) 2000-09-12 US claimed
EP-0900781-A2 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 1999-03-10 EP claimed
EP-0900781-B1 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 2002-03-20 EP disclosed
US-6117365-A N-(3,4-DIHYDROXYBENZYL)-3,5-DIMETHOXY-4-HYDROXY-E-CINNAMIDE, FOR EXAMPLE; USE AS ANTIOXIDANTS OR AS FREE-RADICAL SCAVENGERS, IN PARTICULAR IN THE COSMETIC OR DERMATOLOGICAL FIELDS, AND IN FOODS HAARMANN & REIMER GMBH (DE) 2000-09-12 US disclosed
EP-0900781-A2 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 1999-03-10 EP disclosed