SCHEMBL7722692

SCHEMBL7722692

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.35
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 2/20 0.34
DAO P14920 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31
FAAH O00519 1/20 0.31
HTR2A P28223 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
SCHEMBL7722735 0.96 S1PR1 (0.36) S1PR1PPARGPPARAFAAHHTR2A
SCHEMBL7731530 0.93 S1PR1 (0.33) SKP2S1PR1S1PR3PPARGPPARA
SCHEMBL7731510 0.92 DAO (0.34) DAO
SCHEMBL14226660 0.92 RARB (0.39) S1PR1S1PR3
SCHEMBL15317519 0.91 S1PR1 (0.34) S1PR1PPARGPPARAFAAHHTR2A
SCHEMBL7735124 0.91 S1PR1 (0.37) SKP2S1PR1S1PR3DAOPPARG
SCHEMBL7734812 0.90 DAO (0.34) SKP2S1PR1S1PR3DAOPPARG
SCHEMBL7730380 0.89 S1PR1 (0.35) S1PR1S1PR3PPARGPPARAFAAH
SCHEMBL15317517 0.89 FFAR1 (0.33) DAO
SCHEMBL7732669 0.89 RARB (0.38) SKP2S1PR1S1PR3PPARGPPARA

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