SCHEMBL7730338

SCHEMBL7730338

CCCc1ccc(C(=O)O)c(-c2ccc(CCc3cc(F)c(F)c(F)c3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.51
RARA P10276 2/20 0.51
RARG P13631 1/20 0.51
MCL1 Q07820 1/20 0.49
LTB4R2 Q9NPC1 2/20 0.45
MPL P40238 4/20 0.43
BRS3 P32247 2/20 0.42
PPARG P37231 2/20 0.41
METAP2 P50579 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL7730650 0.91 RARB (0.55) RARBRARARARGMCL1LTB4R2
SCHEMBL7738951 0.83 RARB (0.60) RARBRARARARGMCL1PPARG
SCHEMBL7730341 0.81 RARB (0.45) RARBRARARARGMCL1LTB4R2
SCHEMBL9842588 0.81 RARB (0.63) RARBRARARARGMCL1PPARG
SCHEMBL9509918 0.81 METAP2 (0.53) MCL1LTB4R2BRS3PPARGMETAP2
SCHEMBL6550099 0.80 RARB (0.59) RARBRARARARGMCL1PPARG
SCHEMBL9755592 0.80 RARB (0.65) RARBRARARARGMCL1PPARG
SCHEMBL5665946 0.79 RARB (0.59) RARBRARARARGBRS3PPARG
SCHEMBL17487799 0.79 RARB (0.42) RARBRARARARGMCL1MPL
SCHEMBL8472480 0.79 CHRM5 (0.43) LTB4R2METAP2

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