SCHEMBL7730306

SCHEMBL7730306

CCc1ccc(C(F)(F)Oc2ccc(OC(F)(F)F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
PDE2A O00408 3/20 0.39
EPHX2 P34913 2/20 0.38
TSHR P16473 1/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CACNA1H O95180 1/20 0.36
GRM2 Q14416 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CHRM5 P08912 1/20 0.35
GPR3 P46089 1/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
ALDH1A1 P00352 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
SCHEMBL7722475 0.99 TSHR (0.39) SLC7A5PDE2AEPHX2TSHRPPARD
SCHEMBL7722896 0.90 DAO (0.39) SLC7A5PDE2AEPHX2TSHRPPARD
SCHEMBL7722866 0.90 SERPINE1 (0.39) PDE2AEPHX2TSHRPPARDPPARA
SCHEMBL7732530 0.89 SLC7A5 (0.38) SLC7A5PDE2AEPHX2PPARDPPARA
SCHEMBL7722839 0.88 SLC7A5 (0.37) SLC7A5PDE2AEPHX2TSHRPPARD
SCHEMBL7729314 0.87 SLC7A5 (0.39) SLC7A5PDE2AEPHX2CACNA1H
SCHEMBL7729248 0.86 FFAR1 (0.37) SLC7A5PDE2ACACNA1HALDH1A1
SCHEMBL7733382 0.86 SLC7A5 (0.38) SLC7A5PDE2AEPHX2TSHRCACNA1H
SCHEMBL7730619 0.86 SLC7A5 (0.38) SLC7A5PDE2AALDH1A1
SCHEMBL7733173 0.85 FFAR1 (0.37) SLC7A5PDE2ATSHRPPARDPPARA

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