SCHEMBL7731909

SCHEMBL7731909

CCCc1ccc(C(F)(F)Oc2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
CACNA1H O95180 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PDE2A O00408 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
EPHX2 P34913 1/20 0.35
SLC7A5 Q01650 1/20 0.34
HCRTR1 O43613 6/20 0.34
HCRTR2 O43614 6/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL7722839 0.94 SLC7A5 (0.37) DAOCACNA1HPPARDPPARAPDE2A
SCHEMBL7735298 0.93 S1PR1 (0.42) DAOCACNA1HPPARDPPARAPDE2A
SCHEMBL7722896 0.93 DAO (0.39) DAOCACNA1HPPARDPPARAPDE2A
SCHEMBL7732530 0.92 SLC7A5 (0.38) DAOCACNA1HPPARDPPARAPDE2A
SCHEMBL7734833 0.92 S1PR1 (0.39) PPARAS1PR1S1PR3SLC7A5
SCHEMBL7731405 0.90 S1PR1 (0.38) CACNA1HPPARDPPARAPDE2AS1PR1
SCHEMBL7731646 0.87 CACNA1H (0.36) DAOCACNA1HS1PR1S1PR3KCNH2
SCHEMBL7733382 0.86 SLC7A5 (0.38) CACNA1HPDE2AS1PR1S1PR3EPHX2
SCHEMBL7733390 0.86 DAO (0.37) DAOPPARDPPARAGPR84EPHX2
SCHEMBL7735441 0.85 SLC7A5 (0.38) PPARAS1PR1S1PR3SLC7A5

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 1 patent. 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