SCHEMBL7805136

SCHEMBL7805136

COC(=O)Nc1cc(O)c(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(OC)c(NC(=O)OC)cc3O)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL7805068 1.00 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL7632194 0.99 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL7635823 0.99 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6571513 0.92 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7806175 0.92 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL7634969 0.91 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6572050 0.91 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7807367 0.87 HPGD (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6946400 0.87 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6939598 0.87 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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-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-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 disclosed
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 disclosed