SCHEMBL14453080

SCHEMBL14453080

CCCc1ccc(-c2ccc(-c3c(F)cc(CC)cc3F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
MCL1 Q07820 1/20 0.41
RARB P10826 3/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LPL P06858 1/20 0.36

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
SCHEMBL13632415 0.93 NPC1 (0.44) NPC1RAB9AMAPTGFERMCL1
SCHEMBL12190329 0.87 TAAR1 (0.41) NPC1RAB9ATP53SMN1; SMN2TAAR1
SCHEMBL14453078 0.86 RARB (0.48) NPC1RAB9AMAPTGFERRARB
SCHEMBL28019896 0.81 GCGR (0.43) NPC1RAB9AMAPTGFERTP53
SCHEMBL18416779 0.81 CYP17A1 (0.44) NPC1RAB9AMAPTGFERMCL1
SCHEMBL16488492 0.81 RARB (0.42) NPC1RAB9AMAPTGFERMCL1
SCHEMBL16258034 0.81 CYP17A1 (0.44) NPC1RAB9AMAPTGFERMCL1
SCHEMBL15965523 0.81 RARB (0.42) NPC1RAB9AMAPTGFERMCL1
SCHEMBL16377212 0.81 RARB (0.49) NPC1RAB9AMAPTGFERMCL1
SCHEMBL9494601 0.81 RARB (0.56) RAB9AMAPTRARBRARARARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7258903-B2 Fast switching liquid crystal compositions for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-08-21 US disclosed