SCHEMBL6575183

SCHEMBL6575183

Nc1ccc(NCCO)c(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
THRB P10828 3/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PLEC Q15149 1/20 0.46
KMT2A Q03164 1/20 0.41
RARG P13631 2/20 0.40
MAP4K4 O95819 4/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PRSS1 P07477 4/20 0.38
FOLH1 Q04609 1/20 0.38
HCAR3 P49019 1/20 0.37
HSD17B10 Q99714 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL6572981 0.87 PRKCI (0.41) PTGER4KDM4EALDH1A1GAAMAPT
SCHEMBL6575149 0.87 FNTA (0.43) PTGER4KDM4EALDH1A1GAAMAPT
SCHEMBL6571957 0.86 PRSS1 (0.38) KDM4EALDH1A1HTTKMT2APRSS1
SCHEMBL6574696 0.85 PTGER4 (0.68) PTGER4KDM4EALDH1A1GAAMAPT
SCHEMBL6570922 0.83 PTGDR2 (0.44) KDM4EALDH1A1GAAHPGDHTT
Hydrochloric Acid SCHEMBL6573152 0.82 PTGDR2 (0.43) KDM4EALDH1A1GAAHPGDHTT
SCHEMBL6571342 0.82 USP7 (0.40) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL6571430 0.82 PRSS1 (0.37) ALDH1A1KMT2APRSS1PTGDR2
SCHEMBL6571545 0.81 KDM4E (0.42) PTGER4KDM4EALDH1A1GAAMAPT
SCHEMBL6570671 0.81 CYP1A2 (0.43) KDM4EALDH1A1MAPTKMT2APRSS1

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