SCHEMBL7734812

SCHEMBL7734812

CCCCc1ccc(C(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.34
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 2/20 0.33
SKP2 Q13309 1/20 0.33
FFAR1 O14842 1/20 0.32
KIF11 P52732 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
PCSK9 Q8NBP7 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
SCHEMBL15317521 0.97 DAO (0.33) DAOS1PR1S1PR3SKP2FFAR1
SCHEMBL7730606 0.96 S1PR1 (0.35) DAOS1PR1PPARGPPARA
SCHEMBL14226611 0.94 S1PR1 (0.34) DAOS1PR1PPARGPPARA
SCHEMBL7731540 0.93 S1PR1 (0.32) DAOS1PR1S1PR3FFAR1KIF11
SCHEMBL7731087 0.92 DAO (0.35) DAOFFAR1KIF11
SCHEMBL7722876 0.91 S1PR1 (0.36) DAOS1PR1S1PR3SKP2FFAR1
SCHEMBL7729745 0.90 KIF11 (0.39) S1PR1S1PR3FFAR1KIF11PPARG
SCHEMBL7730810 0.90 S1PR1 (0.34) S1PR1FFAR1PPARGPPARA
SCHEMBL7722692 0.90 SKP2 (0.35) DAOS1PR1S1PR3SKP2PPARG
SCHEMBL7733198 0.88 THRB (0.37) DAOS1PR1S1PR3PPARGPPARA

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 3 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
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed