SCHEMBL3685207

SCHEMBL3685207

NC(=O)c1ccc(O)c(-c2ccccc2C(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.51
HNF4A P41235 1/20 0.49
FTO Q9C0B1 1/20 0.48
BCAT2 O15382 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL3686051 0.85 HPGD (0.52) HNF4AFTOBCAT2ALDH1A1MAPT
SCHEMBL3675429 0.80 EGFR (0.47) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL10823673 0.80 FTO (0.61) MYCHNF4AFTOALDH1A1MAPT
SCHEMBL3671297 0.77 MAPT (0.41) FTOBCAT2ALDH1A1MAPTKDM4E
SCHEMBL27659760 0.77 BCAT2 (0.69) MYCHNF4ABCAT2ALDH1A1MAPT
SCHEMBL7822299 0.77 BCAT2 (0.69) MYCHNF4ABCAT2ALDH1A1MAPT
SCHEMBL12486848 0.75 MYC (0.61) MYCHNF4AFTOALDH1A1MAPT
SCHEMBL11061912 0.74 MYC (0.64) MYCHNF4AALDH1A1MAPTKDM4E
SCHEMBL11217790 0.74 MYC (0.69) MYCHNF4AALDH1A1MAPTKDM4E
SCHEMBL29838619 0.74 HNF4A (0.72) MYCHNF4ABCAT2ALDH1A1MAPT

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-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP disclosed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO disclosed