SCHEMBL8747993

SCHEMBL8747993

CCCCCCCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.49
RARB P10826 2/20 0.45
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
HSD11B1 P28845 1/20 0.36

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
SCHEMBL8748211 1.00 KIF11 (0.49) KIF11RARBRARARARGCYP11B1
SCHEMBL8748031 0.99 KIF11 (0.50) KIF11RARBRARARARGCYP11B1
SCHEMBL8747882 0.95 KIF11 (0.51) KIF11RARBRARARARGCYP11B1
SCHEMBL8018477 0.90 KIF11 (0.54) KIF11RARBRARARARGCYP11B1
SCHEMBL8028338 0.90 CYP3A4 (0.40) KIF11
SCHEMBL8028367 0.90 CYP3A4 (0.40) KIF11
SCHEMBL8028344 0.90 CYP3A4 (0.40) KIF11
SCHEMBL8747977 0.89 CYP3A4 (0.39) KIF11
SCHEMBL8748227 0.89 CYP3A4 (0.39) KIF11
SCHEMBL8029837 0.89 DAO (0.40) KIF11

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-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed