SCHEMBL6572048

SCHEMBL6572048

COc1ccc(-c2cc(N)ccc2NCC(O)CO)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
VDR P11473 2/20 0.36
LCK P06239 1/20 0.36
TNF P01375 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
RAD52 P43351 1/20 0.34
GFER P55789 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
AOC3 Q16853 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 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
SCHEMBL6574341 0.84 HDAC4 (0.38) LCKTNFHDAC4HDAC2HDAC8
SCHEMBL7686147 0.84 RPS6KA2 (0.40) GFER
SCHEMBL6573875 0.84 ADRA1A (0.39) ARVDRHDAC4HDAC2HDAC8
SCHEMBL6570673 0.83 AGTR1 (0.42) PPARGP2RX3P2RX2
SCHEMBL6573393 0.81 AGTR1 (0.39) ARVDRLCKPPARGP2RX3
SCHEMBL6570803 0.79 PTGER4 (0.41) HDAC4HDAC2HDAC8
SCHEMBL6572139 0.79 ALDH1A1 (0.36) HDAC4HDAC2HDAC8AOC3P2RX3
SCHEMBL6571998 0.79 LCK (0.34) ARVDRLCK
SCHEMBL6572349 0.79 AR (0.33) ARVDRPPARG
SCHEMBL6570661 0.78 RPS6KA2 (0.40) AOC3

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