SCHEMBL6575398

SCHEMBL6575398

Nc1ccc(NCC(O)CO)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.47
FNTB P49356 5/20 0.47
PGGT1B P53609 3/20 0.43
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
PLEC Q15149 1/20 0.36
MAP4K4 O95819 4/20 0.36
MAPK14 Q16539 1/20 0.36
FOLH1 Q04609 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL6572503 0.85 FNTA (0.42) FNTAFNTBPGGT1BALDH1A1MAPT
SCHEMBL6571846 0.85 CYP1A2 (0.32) FNTAFNTBPGGT1B
SCHEMBL6574986 0.84 BCHE (0.39) FNTAFNTBPGGT1BALDH1A1THRB
SCHEMBL6574373 0.83 BCHE (0.40) ADRB2KDM4EALDH1A1GAAMAPT
SCHEMBL6572113 0.83 MAPT (0.36) FNTAFNTBALDH1A1GAAMAPT
SCHEMBL1664315 0.82 FNTA (0.53) FNTAFNTBPGGT1BADRB2ADRB1
SCHEMBL6572983 0.81 FNTA (0.42) FNTAFNTBPGGT1BKDM4EALDH1A1
SCHEMBL6571600 0.81 FNTA (0.32) FNTAFNTBPGGT1BMAPK14
SCHEMBL6573158 0.80 ABL1 (0.33) FNTAFNTBPGGT1B
SCHEMBL6572130 0.80 SYK (0.38) ALDH1A1GAAMAPT

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