SCHEMBL9525972

SCHEMBL9525972

CCC(=O)NNc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
NLRP3 Q96P20 9/20 0.50
ALOX5 P09917 1/20 0.50
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL6360996 0.84 RAB9A (0.69) GAASMN1; SMN2ALDH1A1CYP1A2NLRP3
Hydrochloric Acid SCHEMBL30967923 0.81 GAA (0.50) GAASMN1; SMN2ALDH1A1ALOX5POLB
SCHEMBL1531488 0.81 ALOX5 (0.72) GAASMN1; SMN2ALDH1A1ALOX5RAB9A
SCHEMBL5708790 0.79 ALDH1A1 (0.69) GAASMN1; SMN2ALDH1A1CYP1A2NLRP3
SCHEMBL11434309 0.79 ALDH1A1 (0.50) GAAALDH1A1CYP1A2NLRP3MEN1
SCHEMBL19639788 0.79 ALDH1A1 (0.57) GAASMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL6907375 0.77 ALDH1A1 (0.47) GAAALDH1A1CYP1A2NLRP3POLB
SCHEMBL6907370 0.77 NLRP3 (0.56) GAAALDH1A1CYP1A2NLRP3POLB
SCHEMBL26105067 0.76 ALDH1A1 (0.53) GAASMN1; SMN2ALDH1A1CYP1A2RAB9A
SCHEMBL11461935 0.74 P2RX7 (0.61) GAASMN1; SMN2ALDH1A1CYP1A2NLRP3

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-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
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