SCHEMBL20006705

SCHEMBL20006705

CCCCc1ccc(C#Cc2cc(F)c(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
FFAR1 O14842 5/20 0.35
HSD11B1 P28845 2/20 0.34
RARB P10826 3/20 0.34
CHRM2 P08172 1/20 0.34
S1PR1 P21453 1/20 0.34
FPR1 P21462 1/20 0.34
FPR3 P25089 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PSMB5 P28074 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20006670 0.94 RARB (0.35) AKR1C3AKR1C2FFAR1HSD11B1RARB
SCHEMBL20005285 0.92 FFAR1 (0.40) FFAR1RARBRARARARGTHRA
SCHEMBL19999496 0.92 RARB (0.39) FFAR1HSD11B1RARBRARARARG
SCHEMBL19999635 0.90 RARB (0.42) FFAR1HSD11B1RARBRARARARG
SCHEMBL19999499 0.90 RARB (0.39) FFAR1RARBS1PR1RARARARG
SCHEMBL19999457 0.89 HRH3 (0.38) FFAR1RARBRARARARGPSMB5
SCHEMBL19999637 0.87 RARB (0.39) FFAR1RARBS1PR1RARARARG
SCHEMBL20004878 0.87 HRH3 (0.38) FFAR1RARBRARARARGPSMB5
SCHEMBL19999494 0.85 RARB (0.40) FFAR1HSD11B1RARBCHRM2S1PR1
SCHEMBL19999591 0.84 RAB9A (0.42) FFAR1S1PR1THRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed