SCHEMBL8887387

SCHEMBL8887387

COC1(C(=O)OC(C)(C)C)CCCCN1[C]=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6039670 0.74 CTSK (0.33) CTSKCYP4F2CYP4A11
SCHEMBL5756513 0.66 GRIN2B (0.39) CTSKHPGD
SCHEMBL26696897 0.64 HPGD (0.33) CTSKCYP4F2CYP4A11HPGD
SCHEMBL30244734 0.64 HPGD (0.33) CTSKCYP4F2CYP4A11HPGD
SCHEMBL5755293 0.64 GRIN2B (0.40) CTSKHPGD
SCHEMBL4705199 0.64 GRIN2B (0.40) CTSKHPGD
SCHEMBL30683839 0.64 NPSR1 (0.34) CTSKCYP4F2CYP4A11HPGD
SCHEMBL9123239 0.63 CTSK (0.33) CTSK
SCHEMBL5722406 0.62 FFAR3 (0.39) CTSKCYP4F2CYP4A11
SCHEMBL6355124 0.62 NPSR1 (0.33) CTSKCYP4F2CYP4A11HPGD

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-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed