SCHEMBL6574696

SCHEMBL6574696

COCCNc1ccc(N)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.68
HCAR3 P49019 2/20 0.53
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
PLEC Q15149 1/20 0.44
RARG P13631 1/20 0.41
RAB9A P51151 1/20 0.41
HPSE Q9Y251 6/20 0.41
MAPK1 P28482 1/20 0.40
EGFR P00533 1/20 0.40
MAP4K4 O95819 1/20 0.39
NCF1 P14598 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6572005 0.87 PTGER4 (0.50) PTGER4HCAR3MAPTALDH1A1KDM4E
SCHEMBL6575183 0.85 PTGER4 (0.47) PTGER4HCAR3MAPTALDH1A1GAA
SCHEMBL6573105 0.84 PTGER4 (0.49) PTGER4HCAR3MAPTALDH1A1GAA
SCHEMBL6572960 0.84 PTGER4 (0.51) PTGER4HCAR3MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6572054 0.83 PTGER4 (0.50) PTGER4HCAR3MAPTALDH1A1KDM4E
SCHEMBL6570713 0.83 PTGER4 (0.47) PTGER4HCAR3MAPTALDH1A1GAA
SCHEMBL6572884 0.82 PTGER4 (0.46) PTGER4MAPTALDH1A1GAAKDM4E
SCHEMBL6572731 0.82 PTGER4 (0.46) PTGER4MAPTALDH1A1GAAKDM4E
SCHEMBL15774833 0.81 PTGER4 (1.00) PTGER4HCAR3MAPTALDH1A1GAA
SCHEMBL6572456 0.81 PTGER4 (0.50) PTGER4HCAR3MAPTALDH1A1GAA

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed