SCHEMBL19999569

SCHEMBL19999569

CCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4cc(F)c(-c5cc(F)c(F)c(F)c5)cc4C)cc3)c(F)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.43
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR1 O14842 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
GPR3 P46089 1/20 0.31
RORC P51449 1/20 0.30
GCGR P47871 1/20 0.30

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
SCHEMBL19999610 1.00 RARB (0.43) RARBRARARARGTSHRHSD17B10
SCHEMBL19999483 0.99 RARB (0.43) RARBRARARARGTSHRHSD17B10
SCHEMBL19999596 0.91 RARB (0.47) RARBRARARARGTSHRHSD17B10
SCHEMBL19999635 0.87 RARB (0.42) RARBRARARARGTSHRHSD17B10
SCHEMBL19999415 0.86 RARB (0.46) RARBRARARARGTSHRHSD17B10
SCHEMBL19999578 0.85 RARB (0.34) RARB
SCHEMBL19999611 0.85 RARB (0.32) RARB
SCHEMBL19999543 0.84 RARB (0.41) RARBRARARARGTSHRHSD17B10
SCHEMBL19999573 0.84 RARB (0.36) RARBRARARARG
SCHEMBL19999467 0.84 TSHR (0.44) 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