SCHEMBL7013296

SCHEMBL7013296

COC(=O)Nc1cccc2c(O)c(NC(=O)Cn3cc[n+](C)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 6/20 0.37
CYP2C19 P33261 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 4/20 0.35
AHR P35869 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.34
EP300 Q09472 1/20 0.33

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
SCHEMBL7015860 1.00 ALDH1A1 (0.39) ALDH1A1POLBHPGDCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7019764 0.99 ALDH1A1 (0.39) ALDH1A1POLBHPGDCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7024300 0.99 ALDH1A1 (0.39) ALDH1A1POLBHPGDCYP2C19CYP1A2
SCHEMBL7022184 0.94 HPGD (0.40) ALDH1A1POLBHPGDCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7099721 0.93 HPGD (0.40) ALDH1A1POLBHPGDCYP2C19CYP1A2
SCHEMBL7016346 0.90 HPGD (0.38) ALDH1A1POLBHPGDCYP2C19LMNA
SCHEMBL7016732 0.90 HPGD (0.38) ALDH1A1POLBHPGDCYP2C19LMNA
Hydrochloric Acid SCHEMBL7024036 0.89 HPGD (0.37) ALDH1A1POLBHPGDCYP2C19LMNA
Hydrochloric Acid SCHEMBL5479669 0.89 HPGD (0.37) ALDH1A1POLBHPGDCYP2C19LMNA
SCHEMBL7019060 0.85 HPGD (0.36) ALDH1A1POLBHPGDCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP claimed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO claimed
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP disclosed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO disclosed