SCHEMBL4602072

SCHEMBL4602072

CCOC(=O)CCCCC(C=Cc1ccccc1O)Cc1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CTSG P08311 5/20 0.37
CMA1 P23946 4/20 0.37
LTA4H P09960 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
EGFR P00533 1/20 0.33
CYP4Z1 Q86W10 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
SCHEMBL2291756 1.00 GAA (0.37) GAACTSGCMA1LTA4HCYP4F2
SCHEMBL2291750 1.00 GAA (0.37) GAACTSGCMA1LTA4HCYP4F2
SCHEMBL4603498 0.92 CYP4F2 (0.39) GAACTSGCMA1LTA4HCYP4F2
SCHEMBL2293437 0.92 CYP4F2 (0.39) GAACTSGCMA1LTA4HCYP4F2
SCHEMBL2293441 0.92 CYP4F2 (0.39) GAACTSGCMA1LTA4HCYP4F2
SCHEMBL8241139 0.89 CTSG (0.33) GAACTSGCMA1
SCHEMBL3600555 0.87 SMN1; SMN2 (0.39) CYP4F2CYP4A11
SCHEMBL2294774 0.84 CYP4Z1 (0.39) CTSGCMA1LTA4HCYP4F2CYP4A11
SCHEMBL7007227 0.84 LTA4H (0.38) CTSGCMA1LTA4HCYP4Z1
SCHEMBL2293418 0.82 CTSG (0.37) CTSGCMA1

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-1940809-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
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
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