SCHEMBL27828656

SCHEMBL27828656

CCC(=O)OCCCCc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
HTT P42858 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NAAA Q02083 1/20 0.38
CACNA1H O95180 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PDE2A O00408 1/20 0.37
P2RX7 Q99572 2/20 0.37

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
SCHEMBL1491069 0.84 APP (0.42) EPHX2PPARDPPARA
SCHEMBL18174187 0.79 CYP4F2 (0.51) EPHX2HCRTR1HCRTR2
SCHEMBL1569028 0.76 EPHX2 (0.45) EPHX2PPARAHCRTR1HCRTR2PDE2A
SCHEMBL13557302 0.75 PDE2A (0.44) EPHX2HCRTR1HCRTR2PDE2A
SCHEMBL27793355 0.75 CYP4F2 (0.39) EPHX2
SCHEMBL27828877 0.75 PDE2A (0.47) EPHX2PDE2A
SCHEMBL27788071 0.74 DAO (0.43) HTTPPARDPPARANAAA
SCHEMBL16961446 0.73 FFAR1 (0.52) EPHX2PPARDPPARA
SCHEMBL8745263 0.72 EPHX2 (0.47) EPHX2CACNA1HHCRTR1HCRTR2PDE2A
SCHEMBL18174237 0.72 EPHX2 (0.49) EPHX2CACNA1HHCRTR1HCRTR2PDE2A

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
CN-102056920-A Tetrazole compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-05-11 CN disclosed