SCHEMBL20005262

SCHEMBL20005262

Cc1ccc(CCc2ccc(-c3ccc(-c4cc(C)c(C#Cc5cc(F)c(C(F)(F)F)c(F)c5)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.31
S1PR1 P21453 1/20 0.31
AR P10275 1/20 0.30
PTGES2 Q9H7Z7 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
SCHEMBL20005227 0.94 KIF11 (0.35) KIF11AR
SCHEMBL19999639 0.91 RARB (0.37) S1PR1
SCHEMBL19999506 0.90 RARB (0.38) KIF11S1PR1
SCHEMBL20005288 0.81 PDE3B (0.32)
SCHEMBL19999634 0.80 RARB (0.36) S1PR1
SCHEMBL20005252 0.79 PDE3B (0.33)
SCHEMBL20006872 0.79 RARB (0.35)
SCHEMBL20005223 0.79 GRM5 (0.34)
SCHEMBL14234532 0.78 AR (0.41) KIF11AR
SCHEMBL13863711 0.78 AR (0.41) KIF11AR

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