SCHEMBL7722737

SCHEMBL7722737

CCCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C#N)c(F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RARB P10826 8/20 0.42
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
MGAT2 Q10469 1/20 0.36
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MTOR P42345 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL7729299 0.97 TSHR (0.40) TSHRHSD17B10RARBRARARARG
SCHEMBL12623096 0.94 RARB (0.43) TSHRHSD17B10RARBRARARARG
SCHEMBL7730680 0.92 MEN1 (0.37) TSHRHSD17B10RARBRARARARG
SCHEMBL7730801 0.92 HSD17B10 (0.39) TSHRHSD17B10RARBRARARARG
SCHEMBL12623092 0.92 RARB (0.41) TSHRHSD17B10RARBRARARARG
SCHEMBL7730411 0.91 HSD17B10 (0.39) TSHRHSD17B10RARBRARARARG
SCHEMBL12624894 0.89 RARB (0.42) TSHRHSD17B10RARBRARARARG
SCHEMBL7735367 0.89 TSHR (0.35) TSHRHSD17B10PPARGPPARAALDH1A1
SCHEMBL12625642 0.88 RARB (0.43) TSHRHSD17B10RARBRARARARG
SCHEMBL7734975 0.88 TSHR (0.34) TSHRHSD17B10PPARGPPARAALDH1A1

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