SCHEMBL14453078

SCHEMBL14453078

CCCCc1cc(F)c(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.48
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
GPR84 Q9NQS5 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CTSV O60911 1/20 0.40

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
SCHEMBL17108392 0.95 RARB (0.41) RARBRARARARGGPR84NISCH
SCHEMBL13632415 0.93 NPC1 (0.44) RARBRARARARGNISCHHSD17B10
SCHEMBL9494601 0.92 RARB (0.56) RARBRARARARGGPR84TSHR
SCHEMBL17108449 0.91 RARB (0.43) RARBRARARARGGPR84NISCH
SCHEMBL14453080 0.86 NPC1 (0.41) RARBRARARARGNISCHHSD17B10
SCHEMBL24401721 0.85 RARB (0.47) RARBRARARARGGPR84NISCH
SCHEMBL21919582 0.85 NPC1 (0.42) RARBRARARARGGPR84NISCH
SCHEMBL28019896 0.82 GCGR (0.43) HSD17B10NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16258121 0.82 RARB (0.50) RARBRARARARGGPR84NISCH
SCHEMBL16488494 0.82 RARB (0.50) RARBRARARARGGPR84NISCH

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