SCHEMBL3393438

SCHEMBL3393438

CCOC(N)(OCC)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
ALOX15 P16050 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL17486950 0.77 DGAT1 (0.43) DGAT1CA12CA1CA7CA14
SCHEMBL8661402 0.77 DGAT1 (0.43) DGAT1CA12CA1CA7CA14
SCHEMBL27665143 0.77 DGAT1 (0.43) DGAT1CA12CA1CA7CA14
SCHEMBL7098775 0.74 ALOX15 (0.41) DGAT1ALOX15
SCHEMBL5682370 0.74 DGAT1 (0.41) DGAT1CA12CA1CA7CA14
SCHEMBL1115801 0.73 DGAT1 (0.43) DGAT1CA12CA1CA7CA14
SCHEMBL14485421 0.73 DGAT1 (0.48) DGAT1CA12CA1CA7CA14
SCHEMBL12860069 0.73 DGAT1 (0.48) DGAT1CA12CA1CA7CA14
SCHEMBL14485423 0.73 DGAT1 (0.48) DGAT1CA12CA1CA7CA14
SCHEMBL8489844 0.73 DGAT1 (0.43) DGAT1CA12CA1CA7CA14

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-1673113-B1 IMPLANTS WITH ATTACHED SILYLATED THERAPEUTIC AGENTS SMART TECH LP (US) 2010-12-29 EP disclosed
US-20060286140-A1 Implants with attached silylated therapeutic agents SMART TECH LP 2006-12-21 US disclosed
EP-1673113-A2 IMPLANTS WITH ATTACHED SILYLATED THERAPEUTIC AGENTS Wickstrom, Eric (US) 2006-06-28 EP disclosed
WO-2005027990-A2 IMPLANTS WITH ATTACHED SILYLATED THERAPEUTIC AGENTS UNIV JEFFERSON (US) 2005-03-31 WO disclosed