SCHEMBL6573165

SCHEMBL6573165

Nc1ccc(N(CCO)CCO)c(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
FOLH1 Q04609 2/20 0.40
PLA2G2A P14555 1/20 0.40
MAP4K4 O95819 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
DDT P30046 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL6572761 0.87 ALDH1A1 (0.42) FOLH1MAP4K4PTGDR2KDM4CRXRA
SCHEMBL6571107 0.85 KDM4C (0.40) KMOFOLH1PLA2G2AKDM4CFNTA
SCHEMBL6574565 0.85 MAPT (0.40) MAP4K4PTGDR2
Hydrochloric Acid SCHEMBL6572997 0.83 PTGDR2 (0.43) PTGDR2
SCHEMBL6572182 0.81 PIK3CG (0.41) MAP4K4PTGDR2
SCHEMBL6572172 0.80 STK4 (0.45)
SCHEMBL6572491 0.80 MAPT (0.37) PTGDR2
SCHEMBL6570856 0.80 ALDH1A1 (0.38) MAP4K4PTGDR2
SCHEMBL6572058 0.80 TAAR1 (0.45) MAP4K4PTGDR2
SCHEMBL6570947 0.80 TRIM24 (0.37) PTGDR2

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