SCHEMBL20006828

SCHEMBL20006828

CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(C#Cc5c(F)cc(O)cc5CC)cc4)c(F)c3)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.39
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
PTPN1 P18031 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
ALOX5 P09917 1/20 0.35
GPR84 Q9NQS5 2/20 0.34
ACACB O00763 2/20 0.34
ESR1 P03372 4/20 0.33
ESR2 Q92731 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM1A O60341 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL19999528 0.88 RARB (0.38) RARBALOX5ACACBKDM1AFFAR1
SCHEMBL19845067 0.83 ESR1 (0.42) RARBMMP2MMP3MMP9PTPN1
SCHEMBL20004683 0.78 ACACB (0.39) RARBACACBKDM1AFFAR1FFAR4
SCHEMBL13211613 0.78 RARB (0.51) RARBGPR84ACACB
SCHEMBL8988787 0.78 RARB (0.41) RARBALOX5ACACBCNR1CNR2
SCHEMBL19999526 0.77 RARB (0.45) RARBGPR84FFAR1
SCHEMBL8755432 0.77 RARB (0.38) RARBKDM1AFFAR4
SCHEMBL20006716 0.77 FFAR1 (0.33) RARBALOX5ACACBFFAR1
SCHEMBL10302762 0.77 FFAR1 (0.40) RARBALOX5ACACBKDM1AFFAR1
SCHEMBL9664422 0.76 RARB (0.51) RARBALOX5CNR1CNR2

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