SCHEMBL3393447

SCHEMBL3393447

CC(OCCN)OCC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
APLNR P35414 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL3393445 0.81 CYP2D6 (0.34) CYP2D6APLNRCA1CA2CA7
SCHEMBL5701868 0.76 SCN9A (0.31) CYP2D6
SCHEMBL303917 0.76 CTH (0.36)
SCHEMBL1205245 0.76 APLNR (0.33) CYP2D6APLNR
SCHEMBL2080034 0.75 CYP2D6 (0.40) CYP2D6APLNRCA1CA2CA7
SCHEMBL3485998 0.74 APLNR (0.35) APLNR
Acetic Acid SCHEMBL9715511 0.73 GABRR1 (0.39)
SCHEMBL23698368 0.73 APLNR (0.31) APLNR
SCHEMBL1232223 0.73 APLNR (0.31) APLNR
SCHEMBL4732536 0.73 APLNR (0.31) APLNR

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