SCHEMBL8935977

SCHEMBL8935977

CCCCCCc1ccc(-c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPT P10636 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL8935947 1.00 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8935958 1.00 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8935951 1.00 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8935974 1.00 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8936027 0.99 RARB (0.35) RARBESR2MMP2MMP3
SCHEMBL8936288 0.96 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8936309 0.96 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8936304 0.96 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8936220 0.96 RARB (0.37) RARBESR2MEN1TP53CYP3A4
SCHEMBL8936176 0.96 RARB (0.37) RARBESR2MEN1TP53CYP3A4

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