SCHEMBL20004744

SCHEMBL20004744

CCCCc1ccc(-c2ccc(C#Cc3c(C)cc(C)cc3F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RARB P10826 6/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
FFAR1 O14842 5/20 0.37
SKP2 Q13309 1/20 0.36
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MMP25 Q9NPA2 1/20 0.34

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
SCHEMBL19999387 0.96 HSD17B10 (0.51) TSHRHSD17B10RARBRARARARG
SCHEMBL19999390 0.95 FFAR1 (0.39) TSHRHSD17B10FFAR1SKP2PTPN11
SCHEMBL14773018 0.93 TSHR (0.46) TSHRHSD17B10RARBRARARARG
SCHEMBL19999363 0.92 HSD17B10 (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL20005274 0.91 TSHR (0.43) TSHRHSD17B10RARBRARARARG
SCHEMBL19999384 0.91 TSHR (0.51) TSHRHSD17B10RARBRARARARG
SCHEMBL19999462 0.90 TSHR (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL20004483 0.90 TSHR (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL14846047 0.90 HSD17B10 (0.51) TSHRHSD17B10RARBRARARARG
SCHEMBL19999351 0.89 TSHR (0.45) TSHRHSD17B10RARBRARARARG

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