SCHEMBL9523995

SCHEMBL9523995

CCOC(=O)Nc1ccc(NC(=O)OCc2ccccc2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP1A2 P05177 2/20 0.57
ALOX15 P16050 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MGLL Q99685 2/20 0.55
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL9526019 0.89 RAB9A (0.56) RAB9ANPC1MGLLMAPTLMNA
SCHEMBL9525190 0.85 MEN1 (0.55) RAB9ANPC1MGLLMAPTLMNA
SCHEMBL31525882 0.83 NPC1 (0.58) RAB9ANPC1CASP3MGLLMAPT
SCHEMBL4372681 0.83 NPC1 (0.60) RAB9ANPC1CASP3MGLLMAPT
SCHEMBL17761732 0.82 ALDH1A1 (0.60) RAB9ANPC1CYP2C9CYP2C19MAPK1
SCHEMBL11766069 0.82 NPC1 (0.72) RAB9ANPC1MAPK1MGLLMAPT
SCHEMBL3175561 0.82 MGLL (0.60) RAB9ANPC1MGLLMAPTPOLB
SCHEMBL14209030 0.81 POLB (0.60) RAB9ANPC1CYP2C9CYP2C19MAPK1
SCHEMBL7256722 0.80 CYP1A2 (0.58) RAB9ANPC1CYP2C9CYP2C19MAPK1
SCHEMBL3038608 0.80 MGLL (0.58) RAB9ANPC1MGLLMAPTLMNA

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
EP-0366542-B1 5-SUBSTITUTED ORTHO-AMINOPHENOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE OXIDATION DYEING OF KERATINIC FIBRES L'OREAL (FR) 1993-07-14 EP disclosed
US-5145483-A Hair dyes L'OREAL (FR) 1992-09-08 US disclosed
EP-0366542-A1 5-Substituted ortho-aminophenols, process for their preparation and their use in the oxidation dyeing of keratinic fibres L'OREAL (FR) 1990-05-02 EP disclosed