SCHEMBL11545353

SCHEMBL11545353

CCOC(=O)CCc1ccccc1CC#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.68
CYP4A11 Q02928 3/20 0.68
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
PTPN1 P18031 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CDYL Q9Y232 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL69660 0.87 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL4579114 0.84 PKM (0.49) CYP4F2CYP4A11ALDH1A1SMN1; SMN2MAPT
SCHEMBL28008696 0.84 CYP4F2 (0.81) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL26661046 0.82 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL22098182 0.81 CYP4F2 (1.00) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL22070564 0.81 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL18455674 0.81 CYP4F2 (0.71) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL11587953 0.80 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL8852291 0.80 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL4842643 0.80 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2

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
US-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 US disclosed
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4140861-A RENAL DISFUNCTION, ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1979-02-20 US disclosed