SCHEMBL6925007

SCHEMBL6925007

Cc1ccc(NC2CCCCC2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
GFER P55789 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.45
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
S1PR1 P21453 1/20 0.44
APAF1 O14727 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL6928541 0.98 GFER (0.47) RAB9ANPC1GFERHDAC8SMN1; SMN2
SCHEMBL455968 0.95 GFER (0.44) RAB9ANPC1GFERHDAC8SMN1; SMN2
SCHEMBL11346034 0.84 RAB9A (0.59) RAB9ANPC1GFERHDAC8SMN1; SMN2
SCHEMBL1397633 0.82 IDO1 (0.50) GAAIDO1ALDH1A1KDM4EMEN1
SCHEMBL16302352 0.82 RAB9A (0.58) RAB9ANPC1GFERSMN1; SMN2GAA
SCHEMBL5981597 0.81 S1PR1 (0.51) RAB9ANPC1GFERSMN1; SMN2GAA
SCHEMBL13801923 0.81 HDAC8 (0.57) RAB9ANPC1GFERHDAC8SMN1; SMN2
SCHEMBL15934278 0.79 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2IDO1ALDH1A1
SCHEMBL11349673 0.78 RAB9A (0.54) RAB9ANPC1GFERSMN1; SMN2GAA
SCHEMBL26448675 0.77 HTT (0.60) RAB9ANPC1GFERSMN1; SMN2GAA

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