SCHEMBL7728933

SCHEMBL7728933

CCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
FFAR1 O14842 1/20 0.33
DAO P14920 1/20 0.33
PRMT6 Q96LA8 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31

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
SCHEMBL7729745 0.93 KIF11 (0.39) KIF11CYP11B1CYP11B2FFAR1PPARG
SCHEMBL7722731 0.92 RARB (0.41) KIF11CYP11B1CYP11B2PPARGPPARA
SCHEMBL7722745 0.91 DAO (0.36) KIF11FFAR1DAOPPARGPPARA
SCHEMBL7732570 0.91 KIF11 (0.39) KIF11CYP11B1CYP11B2FFAR1DAO
SCHEMBL7729079 0.90 KIF11 (0.43) KIF11CYP11B1CYP11B2FFAR1PRMT6
SCHEMBL7731087 0.90 DAO (0.35) KIF11FFAR1DAO
SCHEMBL7730937 0.88 CYP11B1 (0.37) KIF11CYP11B1CYP11B2PRMT6PPARD
SCHEMBL7722652 0.88 FFAR1 (0.32) FFAR1DAO
SCHEMBL7735137 0.87 DAO (0.35) KIF11CYP11B1CYP11B2DAOPRMT6
SCHEMBL7734937 0.86 KIF11 (0.38) KIF11CYP11B1CYP11B2FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed