SCHEMBL7730677

SCHEMBL7730677

CCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
MAOB P27338 2/20 0.38
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
PPARD Q03181 1/20 0.36
PSEN1 P49768 1/20 0.36
PDPK1 O15530 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
S1PR1 P21453 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
FDFT1 P37268 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
EIF4A1 P60842 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL14226647 0.96 RARB (0.38) RARBRARARARGMAOBPPARG
SCHEMBL7735269 0.96 RARB (0.45) RARBRARARARGMAOBPPARG
SCHEMBL7730657 0.93 PSEN1 (0.37) MAOBPPARGPPARAPPARDPSEN1
SCHEMBL7731652 0.93 MAOB (0.39) RARBRARARARGMAOBPPARG
SCHEMBL7734945 0.91 PSEN1 (0.36) MAOBPPARGPPARAPPARDPSEN1
SCHEMBL7729444 0.90 PSEN1 (0.36) RARBRARARARGMAOBPPARG
SCHEMBL7722573 0.89 THRB (0.39) RARBRARARARGPPARGPPARA
SCHEMBL7722564 0.88 KIF11 (0.48) RARBRARARARGMAOB
SCHEMBL7731928 0.88 RARB (0.39) RARBRARARARGMAOBPPARG
SCHEMBL7730440 0.88 THRB (0.39) RARBRARARARGPPARGPPARA

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