SCHEMBL20005274

SCHEMBL20005274

CCCCc1ccc(-c2ccc(C#Cc3c(C)cc(CCc4ccc(C)cc4)cc3F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RARB P10826 6/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
FFAR1 O14842 4/20 0.37
SKP2 Q13309 1/20 0.37
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPRO Q16827 1/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 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
SCHEMBL19999462 0.94 TSHR (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL19999384 0.93 TSHR (0.51) TSHRHSD17B10RARBRARARARG
SCHEMBL20005276 0.93 FFAR1 (0.42) TSHRHSD17B10FFAR1PTGS1PTGS2
SCHEMBL20004483 0.92 TSHR (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL20004744 0.91 TSHR (0.46) TSHRHSD17B10RARBRARARARG
SCHEMBL23600129 0.90 TSHR (0.39) TSHRHSD17B10RARBRARARARG
SCHEMBL19999390 0.89 FFAR1 (0.39) TSHRHSD17B10FFAR1SKP2PTGS1
SCHEMBL19999362 0.89 HSD17B10 (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL20005244 0.89 RARB (0.40) TSHRHSD17B10RARBRARARARG
SCHEMBL19999463 0.88 TSHR (0.49) 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