SCHEMBL20005241

SCHEMBL20005241

CCCCc1ccc(C#Cc2ccc(-c3ccc(C)cc3)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.45
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FFAR1 O14842 8/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ACACB O00763 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
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL19999361 0.92 RARB (0.47) RARBRARARARGTSHRHSD17B10
SCHEMBL8979168 0.91 FFAR1 (0.42) TSHRHSD17B10FFAR1FFAR4ACACB
SCHEMBL8978877 0.91 FFAR1 (0.42) TSHRHSD17B10FFAR1FFAR4ACACB
SCHEMBL9333078 0.90 RARB (0.45) RARBRARARARGTSHRHSD17B10
SCHEMBL7851532 0.89 FFAR1 (0.45) TSHRHSD17B10FFAR1FFAR4ACACB
SCHEMBL7861809 0.89 FFAR1 (0.49) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL9333386 0.89 RARB (0.44) RARBRARARARGTSHRHSD17B10
SCHEMBL8979078 0.88 FFAR1 (0.44) TSHRHSD17B10FFAR1FFAR4PTPN11
SCHEMBL9333091 0.88 RARB (0.43) RARBRARARARGTSHRHSD17B10
SCHEMBL8979100 0.87 FFAR1 (0.41) RARBRARARARGTSHRHSD17B10

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