SCHEMBL19999577

SCHEMBL19999577

CCCCCc1ccc(-c2ccc(-c3cc(F)c(C#Cc4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)cc4C)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.35
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL19999485 0.90 RARB (0.38) RARBS1PR1S1PR3
SCHEMBL19999582 0.86
SCHEMBL20005268 0.86 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL12623184 0.85 RARB (0.35) RARBRARARARGS1PR1S1PR3
SCHEMBL18746870 0.85 RARB (0.34) RARBRARARARG
SCHEMBL20006745 0.85 AKR1C3 (0.31)
SCHEMBL18746811 0.85 RARB (0.33) RARB
SCHEMBL12625471 0.84 RARB (0.42) RARBRARARARGS1PR1S1PR3
SCHEMBL18747837 0.84 RARB (0.33) RARBS1PR1S1PR3
SCHEMBL19999579 0.84 RARB (0.35) RARBRARARARGS1PR1S1PR3

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