SCHEMBL6928541

SCHEMBL6928541

Cc1ccc(NC2CCCC2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
ROCK2 O75116 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
IDO1 P14902 1/20 0.42
S1PR1 P21453 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL6925007 0.98 RAB9A (0.48) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL455968 0.96 GFER (0.44) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL1397633 0.83 IDO1 (0.50) GAAPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL16302352 0.83 RAB9A (0.58) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL5981597 0.82 S1PR1 (0.51) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL11346034 0.81 RAB9A (0.59) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL11349673 0.79 RAB9A (0.54) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL26448675 0.79 HTT (0.60) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL13801923 0.79 HDAC8 (0.57) GFERRAB9AGAASMN1; SMN2NPC1
SCHEMBL15934219 0.78 PTPN7 (0.48) RAB9AGAASMN1; SMN2NPC1PTGS1

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
CN-1224374-C Novel couplers for oxidative hair dyeing P & G CLAIROL INC (US) 2005-10-26 CN disclosed
CN-1477948-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-25 CN disclosed
EP-1363587-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-Clairol, Inc. (US) 2003-11-26 EP disclosed
US-6409773-B1 AMINOPHENOL COUPLERS CLAIROL INCORPORATED 2002-06-25 US disclosed
WO-2002047635-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-06-20 WO disclosed