SCHEMBL7730341

SCHEMBL7730341

CCCc1c(C(=O)O)cccc1-c1ccc(CCc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.45
PPARG P37231 2/20 0.45
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
BRS3 P32247 5/20 0.45
SYK P43405 2/20 0.43
MCL1 Q07820 1/20 0.43
LTB4R2 Q9NPC1 5/20 0.43
LTB4R Q15722 3/20 0.43

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
SCHEMBL9644341 0.82 PPARG (0.49) PPARGMCL1LTB4R2
SCHEMBL7730338 0.81 RARB (0.51) RARBPPARGRARARARGBRS3
SCHEMBL8472481 0.80 SCN1A (0.45) LTB4R2LTB4R
SCHEMBL7736040 0.76 CD274 (0.41) RARBRARARARGSYK
SCHEMBL8676486 0.75 SYK (0.45) RARBRARARARGSYKLTB4R2
SCHEMBL25146615 0.75 MCL1 (0.52) PPARGBRS3MCL1LTB4R2
SCHEMBL7722704 0.75 MCL1 (0.52) PPARGBRS3MCL1LTB4R2
SCHEMBL10536375 0.75 RARB (0.59) RARBRARARARGBRS3LTB4R2
SCHEMBL8676465 0.74 LTB4R2 (0.50) PPARGBRS3SYKLTB4R2LTB4R
SCHEMBL17487799 0.73 RARB (0.42) RARBRARARARGMCL1

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