SCHEMBL8945119

SCHEMBL8945119

CCOC(=O)CCc1cc(F)cc(F)c1CCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.48
CYP4A11 Q02928 3/20 0.48
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
DPP4 P27487 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
TNF P01375 1/20 0.38
AKR1C3 P42330 1/20 0.38
PKM P14618 1/20 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
SCHEMBL8806998 0.94 CYP4F2 (0.43) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL9105956 0.91 CYP4F2 (0.47) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL25240413 0.85 CYP4F2 (0.43) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL3906109 0.80 CYP4F2 (0.53) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL1746633 0.80 KDM4E (0.48) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL12984187 0.78 CYP4F2 (0.45) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL3623961 0.78 CYP4F2 (0.45) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL29056374 0.78 CYP4F2 (0.47) CYP4F2CYP4A11KDM4EHPGDHSD17B10
SCHEMBL512668 0.77 LMNA (0.43) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL1745188 0.77 TAAR1 (0.53) CYP4F2CYP4A11KDM4EHPGDHSD17B10

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
US-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US disclosed