SCHEMBL4603498

SCHEMBL4603498

CCOC(=O)CCCCC(C=Cc1ccccc1O)CCc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
CYP4Z1 Q86W10 2/20 0.37
GAA P10253 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP4F11 Q9HBI6 1/20 0.35
CYP4F12 Q9HCS2 1/20 0.35
LTA4H P09960 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.34
CTSG P08311 3/20 0.33
CMA1 P23946 3/20 0.33
PRSS1 P07477 1/20 0.33
CTRB1 P17538 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL2293441 1.00 CYP4F2 (0.39) CYP4F2CYP4A11CYP4Z1GAAALOX5
SCHEMBL2293437 1.00 CYP4F2 (0.39) CYP4F2CYP4A11CYP4Z1GAAALOX5
SCHEMBL2291750 0.92 GAA (0.37) CYP4F2CYP4A11CYP4Z1GAALTA4H
SCHEMBL4602072 0.92 GAA (0.37) CYP4F2CYP4A11CYP4Z1GAALTA4H
SCHEMBL2291756 0.92 GAA (0.37) CYP4F2CYP4A11CYP4Z1GAALTA4H
SCHEMBL15492204 0.89 GAA (0.33) GAA
SCHEMBL4508822 0.86 MMP12 (0.41) SMN1; SMN2CTSGCMA1PRSS1CTRB1
SCHEMBL4508829 0.86 MMP12 (0.41) SMN1; SMN2CTSGCMA1PRSS1CTRB1
SCHEMBL7006251 0.85 LTA4H (0.39) CYP4F2CYP4A11CYP4Z1ALOX5LTA4H
SCHEMBL2292871 0.84 CYP4Z1 (0.43) CYP4F2CYP4A11CYP4Z1GAAALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
EP-1940809-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045370-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed