SCHEMBL6572668

SCHEMBL6572668

COCCN(CCOC)c1ccc(N)c(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.43
RARG P13631 2/20 0.43
PTGER4 P35408 1/20 0.42
EGFR P00533 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAP4K4 O95819 4/20 0.39
PTPN11 Q06124 1/20 0.39
RXRA P19793 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SRD5A2 P31213 1/20 0.37
RELA Q04206 1/20 0.36
RARA P10276 1/20 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
SCHEMBL6570731 0.90 HDAC2 (0.38) PTGER4F2PRSS1PRSS2PRSS3
SCHEMBL6574651 0.89 LMNA (0.43) RARBRARGEGFRF2PRSS1
SCHEMBL6572946 0.87 PTPN11 (0.42) PTGER4F2PRSS1PRSS2PRSS3
SCHEMBL6573438 0.85 RARB (0.42) RARBRARGF2PRSS1PRSS2
SCHEMBL6571056 0.84 MGAM (0.36) F2PRSS1PRSS2PRSS3RELA
SCHEMBL6571429 0.84 ALDH1A1 (0.36) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6571926 0.83 F2 (0.38) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6572008 0.83 MAPT (0.35) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6570799 0.83 GRM2 (0.38) F2PRSS1PRSS2PRSS3MAP4K4
SCHEMBL6570859 0.83 S100B (0.37) F2PRSS1PRSS2PRSS3ALDH1A1

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