SCHEMBL20004808

SCHEMBL20004808

CCCCc1ccc(C#Cc2cc(F)c(C)cc2CCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.39
SKP2 Q13309 1/20 0.37
PTPN11 Q06124 1/20 0.36
PTPRO Q16827 1/20 0.36
FFAR4 Q5NUL3 3/20 0.36
CHRM2 P08172 1/20 0.36
S1PR1 P21453 1/20 0.36
FPR1 P21462 1/20 0.36
FPR3 P25089 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
HTR2A P28223 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
SCHEMBL19999383 0.91 PTPN11 (0.38) FFAR1PTPN11PTPROFFAR4TSHR
SCHEMBL20004811 0.86 FFAR1 (0.37) FFAR1FFAR4
SCHEMBL19999368 0.86 HSD17B10 (0.40) FFAR1PTPN11PTPROFFAR4CHRM2
SCHEMBL19999447 0.85 RARB (0.47) FFAR1PTPN11PTPROTHRATHRB
SCHEMBL8978759 0.83 PTPN11 (0.40) FFAR1PTPN11PTPROFFAR4TSHR
SCHEMBL19999431 0.83 RARB (0.34) FFAR1SKP2PTPN11PTPROFFAR4
SCHEMBL19999374 0.83 FFAR1 (0.40) FFAR1SKP2PTPN11PTPROFFAR4
SCHEMBL19999397 0.83 FFAR1 (0.40) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8979018 0.83 HSD17B10 (0.41) FFAR1PTPN11PTPROFFAR4TSHR
SCHEMBL20006810 0.81 FFAR1 (0.39) FFAR1PTPN11PTPROFFAR4TSHR

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
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed