SCHEMBL6574138

SCHEMBL6574138

COCCNc1ccc(N)cc1-c1ccc(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.45
NCF1 P14598 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HCAR3 P49019 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE10A Q9Y233 1/20 0.33
TYR P14679 1/20 0.33
GFER P55789 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6572132 0.93 PTGER4 (0.48) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6573219 0.88 PTGER4 (0.47) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6572814 0.87 PTGER4 (0.48) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6572531 0.86 PTGER4 (0.45) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6573105 0.85 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6572445 0.83 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6572017 0.83 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL6571173 0.82 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6572075 0.82 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6574666 0.81 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTHCAR3

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