SCHEMBL6570247

SCHEMBL6570247

Cc1ccc(NC(=O)CCl)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
HPGD P15428 3/20 0.57
MAPT P10636 2/20 0.57
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
POLB P06746 1/20 0.56
JAK2 O60674 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HTT P42858 5/20 0.52
MITF O75030 3/20 0.52

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
SCHEMBL29417999 0.86 POLB (0.76) ALDH1A1CYP2C9KMT2AMEN1CYP3A4
SCHEMBL6030738 0.86 POLB (0.76) ALDH1A1CYP2C9KMT2AMEN1CYP3A4
SCHEMBL14706934 0.84 ERCC1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7930525 0.83 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4006392 0.83 HPGD (0.69) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL10369646 0.81 KMT2A (0.68) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL18530331 0.81 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7076641 0.81 GSTO1 (0.57) ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL31042937 0.80 POLB (0.53) ALDH1A1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL917175 0.80 ALDH1A1 (0.55) ALDH1A1CYP2C9CYP2C19KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
US-6461389-B1 HAIR DYE L'OREAL S.A. (FR) 2002-10-08 US disclosed
EP-1064267-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP disclosed
WO-1999048874-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO disclosed
US-5009880-A Mixture of an anionic and cationic polymer for shampoos, skin lotions, nail strengtheners and hair dyeing; improved fixing and anchoring; smoothness; gloss L'OREAL (FR) 1991-04-23 US disclosed
US-4719099-A ANIONIC AND CATIONIC L'OREAL (FR) 1988-01-12 US disclosed
US-4445521-A ANIONIC AND CATIONIC POLYMER COMBINATION L'OREAL (FR) 1984-05-01 US disclosed
US-4240450-A HAIR CONDITIONER OF ANIONIC POLYMERS AND CATIONIC POLYMERS L'OREAL (FR) 1980-12-23 US disclosed