SCHEMBL6572004

SCHEMBL6572004

Nc1ccc(NCC(O)CO)c(-c2ccc(O)cc2O)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
LCK P06239 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 2/20 0.31
VDR P11473 2/20 0.31
TYR P14679 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL6571998 0.93 LCK (0.34) LCKARVDRPDE10A
SCHEMBL6571095 0.91 NPC1 (0.34) LCKARVDRPDE10A
SCHEMBL6574480 0.88 AR (0.31) ARVDR
SCHEMBL6572123 0.87 PDE10A (0.36) ALOX5LCKKMT2AARVDR
SCHEMBL6572908 0.86 NPC1 (0.35) KMT2A
SCHEMBL6573407 0.86 USP7 (0.36) ARVDR
SCHEMBL6572349 0.85 AR (0.33) KMT2AARVDR
SCHEMBL6570818 0.83 AR (0.33) ARVDR
SCHEMBL6572447 0.82 ADRB2 (0.33) ARVDR
SCHEMBL6572232 0.82 PIK3CG (0.38)

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 4 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
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