SCHEMBL20006811

SCHEMBL20006811

CCCCc1ccc(C#Cc2cc(F)ccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.48
FFAR4 Q5NUL3 3/20 0.41
CHRM2 P08172 1/20 0.41
S1PR1 P21453 1/20 0.41
FPR1 P21462 1/20 0.41
FPR3 P25089 1/20 0.41
GPR183 P32249 1/20 0.41
APLNR P35414 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
SKP2 Q13309 1/20 0.40
PTPN11 Q06124 1/20 0.38
PTPRO Q16827 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15421599 0.85 FFAR1 (0.48) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL20006810 0.84 FFAR1 (0.39) FFAR1FFAR4PTPN11PTPROTSHR
SCHEMBL9416292 0.83 HSD17B10 (0.43) FFAR1FFAR4CHRM2PTPN11PTPRO
SCHEMBL19384780 0.82 FFAR1 (0.45) FFAR1FFAR4PTPN11PTPROTSHR
SCHEMBL20006812 0.82 FFAR1 (0.47) FFAR1FFAR4
SCHEMBL9424337 0.82 HSD17B10 (0.46) FFAR1FFAR4CHRM2PTPN11PTPRO
SCHEMBL9424692 0.82 HSD17B10 (0.46) FFAR1FFAR4CHRM2PTPN11PTPRO
SCHEMBL9424772 0.82 HSD17B10 (0.46) FFAR1FFAR4CHRM2PTPN11PTPRO
SCHEMBL9424205 0.82 HSD17B10 (0.46) FFAR1FFAR4CHRM2PTPN11PTPRO
SCHEMBL9424696 0.82 HSD17B10 (0.46) FFAR1FFAR4CHRM2PTPN11PTPRO

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