SCHEMBL7722735

SCHEMBL7722735

CCCCCc1ccc(C(F)(F)Oc2cc(F)c(F)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
HTR2A P28223 1/20 0.36
FAAH O00519 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35

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
SCHEMBL7722692 0.96 SKP2 (0.35) S1PR1PPARGPPARAHTR2AFAAH
SCHEMBL15317519 0.95 S1PR1 (0.34) S1PR1PPARGPPARAHTR2AFAAH
SCHEMBL7730380 0.93 S1PR1 (0.35) S1PR1PPARGPPARAHTR2AFAAH
SCHEMBL7729099 0.91 HTR2A (0.37) S1PR1PPARGPPARAHTR2AFAAH
SCHEMBL14226747 0.91 S1PR1 (0.34) S1PR1PPARGPPARAHTR2AFAAH
SCHEMBL12625471 0.91 RARB (0.42) S1PR1PPARGPPARAFAAHRARB
SCHEMBL7731510 0.91 DAO (0.34)
SCHEMBL7730606 0.90 S1PR1 (0.35) S1PR1PPARGPPARAHTR2AFAAH
SCHEMBL7733175 0.89 RARB (0.42) S1PR1PPARGPPARARARBRARA
SCHEMBL7731530 0.89 S1PR1 (0.33) S1PR1PPARGPPARA

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