SCHEMBL7730810

SCHEMBL7730810

CCCCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
THRB P10828 1/20 0.33
PLK1 P53350 1/20 0.32
FAAH O00519 1/20 0.31
HTR2A P28223 1/20 0.31
PPARD Q03181 1/20 0.31
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
FFAR1 O14842 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
SCHEMBL7731540 0.97 S1PR1 (0.32) S1PR1PPARGPPARAFFAR1
SCHEMBL7730606 0.93 S1PR1 (0.35) S1PR1PPARGPPARATHRBFAAH
SCHEMBL7722652 0.92 FFAR1 (0.32) FFAR1
SCHEMBL7730380 0.91 S1PR1 (0.35) S1PR1PPARGPPARATHRBPLK1
SCHEMBL14226611 0.91 S1PR1 (0.34) S1PR1PPARGPPARATHRBFAAH
SCHEMBL7722573 0.91 THRB (0.39) PPARGPPARATHRBPLK1FAAH
SCHEMBL7733198 0.90 THRB (0.37) S1PR1PPARGPPARATHRBFAAH
SCHEMBL7734812 0.90 DAO (0.34) S1PR1PPARGPPARAFFAR1
SCHEMBL7722731 0.89 RARB (0.41) S1PR1PPARGPPARATHRBRARB
SCHEMBL7730819 0.89 THRB (0.33) S1PR1PPARGPPARATHRBPLK1

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
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed