SCHEMBL6571380

SCHEMBL6571380

COc1cccc(OC)c1-c1cc(NCC(O)CO)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
NR3C1 P04150 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
MAPT P10636 2/20 0.36
CD274 Q9NZQ7 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FGB P02675 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
ADORA2A P29274 1/20 0.35
PPARG P37231 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA2 Q15596 1/20 0.35

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
SCHEMBL6572016 0.88 AGTR1 (0.42) AGTR1LMNACYP1A2MAPTCD274
SCHEMBL6571000 0.82 NR3C1 (0.41) NR3C1MAPTMAPK1MEN1ALDH1A1
SCHEMBL6572139 0.81 ALDH1A1 (0.36) FNTAFNTBPGGT1BMAPTALDH1A1
SCHEMBL6571368 0.81 MAPK1 (0.44) LMNAFNTAFNTBPGGT1BMAPT
SCHEMBL6571874 0.80 MAPT (0.45) CYP1A2MAPTMAPK1MEN1ALDH1A1
SCHEMBL6573393 0.78 AGTR1 (0.39) AGTR1LMNACYP1A2NR3C1MAPT
SCHEMBL6572503 0.78 FNTA (0.42) FNTAFNTBPGGT1BMAPTMAPK1
SCHEMBL6574224 0.78 ALDH1A1 (0.38) FNTAFNTBPGGT1BMAPTALDH1A1
SCHEMBL6573021 0.77 ALDH1A1 (0.40) LMNACYP1A2NR3C1MAPTMAPK1
SCHEMBL6571600 0.77 FNTA (0.32) FNTAFNTBPGGT1BMAPK1

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 5 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
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 disclosed
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
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed