SCHEMBL8940895

SCHEMBL8940895

CCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
FASN P49327 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8940700 1.00 RARB (0.33) RARBRARARARGFASNMEN1
SCHEMBL8940745 1.00 RARB (0.33) RARBRARARARGFASNMEN1
SCHEMBL8940679 1.00 RARB (0.33) RARBRARARARGFASNMEN1
SCHEMBL8940662 1.00 RARB (0.33) RARBRARARARGFASNMEN1
SCHEMBL8940717 0.99 FASN (0.33) RARBRARARARGFASN
SCHEMBL8941038 0.96 RARB (0.33) RARBRARARARGMEN1TP53
SCHEMBL8941106 0.96 RARB (0.33) RARBRARARARGMEN1TP53
SCHEMBL8941220 0.96 RARB (0.33) RARBRARARARGMEN1TP53
SCHEMBL8941224 0.96 RARB (0.33) RARBRARARARGMEN1TP53
SCHEMBL8940987 0.96 RARB (0.33) RARBRARARARGMEN1TP53

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed