SCHEMBL7729797

SCHEMBL7729797

CCCc1ccc(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
PDK2 Q15119 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PDE2A O00408 1/20 0.30
FFAR1 O14842 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
TSHR P16473 1/20 0.30
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL7731520 0.93 TSHR (0.32) TSHRPPARDPPARA
SCHEMBL7731549 0.92 PCSK9 (0.34) DAOPPARA
SCHEMBL7733531 0.91 S1PR1 (0.35) PPARA
SCHEMBL7728636 0.91 DAO (0.36) DAOTSHRPPARDPPARA
SCHEMBL19711845 0.90 KIF11 (0.40)
SCHEMBL7731627 0.89 PDE2A (0.34) PDE2AFFAR1TSHRPPARDPPARA
SCHEMBL7730937 0.89 CYP11B1 (0.37) CNR1TSHRPPARDPPARA
SCHEMBL15317520 0.88 PPARG (0.37) PPARA
SCHEMBL7731510 0.88 DAO (0.34) DAOPDK2CNR1CNR2FFAR1
SCHEMBL7732942 0.86 FFAR1 (0.31) DAOFFAR1

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