Benzyl Salicylate

Benzyl Salicylate

SCHEMBL8526684

CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C.O=C(OCc1ccccc1)c1ccccc1O

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.39
RARG P13631 2/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 2/20 0.36
CYP26A1 O43174 1/20 0.36

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
SCHEMBL110818 0.78 RARG (0.52) RARGCYP26A1CYP26B1RXRARARA
SCHEMBL10689218 0.78 RARG (0.52) RARGCYP26A1CYP26B1RXRARARA
SCHEMBL29357179 0.78 RARG (0.52) RARGCYP26A1CYP26B1RXRARARA
SCHEMBL9299399 0.78 RARG (0.52) RARGCYP26A1CYP26B1RXRARARA
SCHEMBL8849445 0.75 RARG (0.43) L3MBTL1RARGRAB9ACYP2C19CYP1A2
Benzyl Salicylate SCHEMBL28184183 0.72 TDP1 (0.90) TDP1ALDH1A1L3MBTL1CYP3A4TSHR
SCHEMBL14414059 0.71 RARG (0.58) RARGCYP26A1CYP26B1RXRARARA
Benzyl Salicylate SCHEMBL15573 0.71 TDP1 (1.00) TDP1ALDH1A1L3MBTL1CYP3A4TSHR
Benzyl Salicylate SCHEMBL30184766 0.71 TDP1 (1.00) TDP1ALDH1A1L3MBTL1CYP3A4TSHR
Benzyl Salicylate SCHEMBL1871397 0.71 TDP1 (1.00) TDP1ALDH1A1L3MBTL1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912668-A2 DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
WO-1997043365-A2 DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-11-20 WO disclosed