SCHEMBL9526019

SCHEMBL9526019

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
MGLL Q99685 2/20 0.53
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
F10 P00742 1/20 0.51
POLB P06746 1/20 0.49
ENPP2 Q13822 3/20 0.48
ROCK2 O75116 1/20 0.47
MAOB P27338 1/20 0.47
BRD4 O60885 1/20 0.46

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
SCHEMBL9523995 0.89 RAB9A (0.58) RAB9ANPC1MGLLTP53MAPT
SCHEMBL9525190 0.86 MEN1 (0.55) RAB9ANPC1MGLLTP53MAPT
SCHEMBL4372681 0.84 NPC1 (0.60) RAB9ANPC1MGLLTP53MAPT
SCHEMBL31525882 0.82 NPC1 (0.58) RAB9ANPC1MGLLMAPTSMN1; SMN2
SCHEMBL9527633 0.81 RAB9A (0.50) RAB9AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9527627 0.81 RAB9A (0.50) RAB9ANPC1MGLLMAPTALDH1A1
SCHEMBL13529179 0.80 CASP3 (0.56) RAB9ANPC1MGLLTP53MAPT
SCHEMBL9524957 0.80 F10 (0.56) RAB9ANPC1MGLLTP53MAPT
SCHEMBL16193532 0.79 NPC1 (0.69) RAB9ANPC1MGLLTP53MAPT
SCHEMBL30522295 0.79 NPC1 (0.69) RAB9ANPC1MGLLTP53MAPT

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