SCHEMBL6574237

SCHEMBL6574237

COc1cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(OC)c(C)cc3O)c2)c(O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36

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
Hydrochloric Acid SCHEMBL6572697 0.99 POLB (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL6574110 0.89 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
Hydrochloric Acid SCHEMBL6573240 0.88 POLB (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL7805068 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL7806175 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL7805136 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL6571513 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL6939897 0.86 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
Hydrochloric Acid SCHEMBL6572050 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
Hydrochloric Acid SCHEMBL7632194 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP claimed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP disclosed