SCHEMBL7729295

SCHEMBL7729295

CCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
EPHX1 P07099 1/20 0.34
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CCR6 P51684 1/20 0.33
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GRIN2B Q13224 1/20 0.32
SERPINE1 P05121 1/20 0.32

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
SCHEMBL7731627 0.93 PDE2A (0.34) TSHRHCRTR1HCRTR2PPARDPPARA
SCHEMBL7731520 0.91 TSHR (0.32) TSHREPHX2NR1H4EPHX1HCRTR1
SCHEMBL7729773 0.90 TSHR (0.40) TSHREPHX2NR1H4EPHX1HCRTR1
SCHEMBL7735122 0.89 TSHR (0.32) TSHREPHX2NR1H4EPHX1CCR6
SCHEMBL7730151 0.89 PCSK9 (0.33) TSHRHCRTR1HCRTR2PPARDPPARA
SCHEMBL7732487 0.88 DAO (0.39) TSHRHCRTR1HCRTR2PPARDPPARA
SCHEMBL7730532 0.88 S1PR1 (0.34) PPARA
SCHEMBL7734806 0.87 PDE2A (0.31) EPHX1PDE2A
SCHEMBL7731008 0.87 TSHR (0.35) TSHREPHX2NR1H4HCRTR1HCRTR2
SCHEMBL7734971 0.87 PRMT6 (0.39) TSHRPPARDPPARA

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