SCHEMBL19999526

SCHEMBL19999526

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C#Cc5c(F)cc(C)cc5CC)cc4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.45
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 2/20 0.33
FAAH O00519 1/20 0.32
PTGS2 P35354 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
S1PR3 Q99500 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PTPN11 Q06124 1/20 0.31
PTPRO Q16827 1/20 0.31
GPR3 P46089 1/20 0.31

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
SCHEMBL19999429 0.91 RARB (0.43) RARBRARARARGTSHRHSD17B10
SCHEMBL19999528 0.89 RARB (0.38) RARBFFAR1AKR1C3AKR1C2
SCHEMBL14846047 0.80 HSD17B10 (0.51) RARBRARARARGTSHRHSD17B10
SCHEMBL19999531 0.80 RARB (0.38) RARBRARARARGTSHRHSD17B10
SCHEMBL20004797 0.79 S1PR1 (0.37) RARBRARAS1PR1FFAR1S1PR3
SCHEMBL20004683 0.79 ACACB (0.39) RARBS1PR1FFAR1S1PR3
SCHEMBL24717511 0.78 TSHR (0.59) RARBRARARARGTSHRHSD17B10
SCHEMBL14525976 0.78 RARB (0.51) RARBRARARARGTSHRHSD17B10
SCHEMBL19999549 0.78 RARB (0.45) RARBRARARARGTSHRHSD17B10
SCHEMBL19999588 0.77 RARB (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
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed