SCHEMBL8747882

SCHEMBL8747882

CCCCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.51
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL8748031 0.96 KIF11 (0.50) KIF11RARBRARARARGCYP11B1
SCHEMBL8748211 0.95 KIF11 (0.49) KIF11RARBRARARARGCYP11B1
SCHEMBL8747993 0.95 KIF11 (0.49) KIF11RARBRARARARGCYP11B1
SCHEMBL8018477 0.92 KIF11 (0.54) KIF11RARBRARARARGCYP11B1
SCHEMBL8031345 0.90 DAO (0.41) KIF11
SCHEMBL8747932 0.88 DAO (0.40) KIF11
SCHEMBL8045206 0.87 KIF11 (0.48) KIF11CYP11B1CYP11B2GPR84
SCHEMBL8029837 0.86 DAO (0.40) KIF11
SCHEMBL8028344 0.85 CYP3A4 (0.40) KIF11
SCHEMBL8747944 0.85 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