SCHEMBL7730650

SCHEMBL7730650

CCCc1ccc(C(=O)O)c(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.55
RARA P10276 2/20 0.55
RARG P13631 1/20 0.55
MCL1 Q07820 1/20 0.50
LTB4R2 Q9NPC1 3/20 0.46
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MPL P40238 3/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
METAP2 P50579 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL7730338 0.91 RARB (0.51) RARBRARARARGMCL1LTB4R2
SCHEMBL8015187 0.82 RARB (0.48) RARBRARARARGMCL1LTB4R2
SCHEMBL9509918 0.82 METAP2 (0.53) MCL1LTB4R2PPARGPPARAMETAP2
SCHEMBL7736771 0.82 RARB (0.78) RARBRARARARGMCL1AKR1C2
SCHEMBL8015669 0.81 RARB (0.54) RARBRARARARGMPL
SCHEMBL7511320 0.80 RARB (0.48) RARBRARARARGMCL1LTB4R2
SCHEMBL9842588 0.80 RARB (0.63) RARBRARARARGMCL1AKR1C2
SCHEMBL8373768 0.79 RARB (0.44) RARBRARARARGMCL1MPL
SCHEMBL9755592 0.78 RARB (0.65) RARBRARARARGMCL1PPARG
SCHEMBL6550099 0.78 RARB (0.59) RARBRARARARGMCL1PPARG

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