SCHEMBL11037307

SCHEMBL11037307

CC(C)(C)OC(=O)N[C@H]([C]=O)CCCCN

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
CTSK P43235 8/20 0.40
CTSS P25774 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3851080 1.00 ITGB3 (0.40) ITGB3ITGA2BCTSKCTSSCA1
SCHEMBL2401149 1.00 ITGB3 (0.40) ITGB3ITGA2BCTSKCTSSCA1
SCHEMBL27535461 0.95 CTSK (0.41) ITGB3ITGA2BCTSKCTSSCA1
SCHEMBL8183200 0.87 CTSK (0.45) ITGB3ITGA2BCTSKCTSSCA1
SCHEMBL3818708 0.84 MEN1 (0.55) CTSKCTSSCA1CA2MEN1
SCHEMBL3498470 0.84 MEN1 (0.55) CTSKCTSSCA1CA2MEN1
SCHEMBL9515168 0.81 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL19974088 0.80 CA1 (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL2427380 0.80 CA1 (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL11009929 0.80 CTSS (0.45) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030920-B1 ACYL PEPTIDES AND PHARMACEUTICAL PREPARATIONS THEREOF, AS WELL AS THEIR MANUFACTURE AND USE CIBA-GEIGY AG (CH) 1984-02-15 EP claimed
EP-0030920-A2 Acyl peptides and pharmaceutical preparations thereof, as well as their manufacture and use CIBA-GEIGY AG (CH) 1981-06-24 EP claimed
CN-100355728-C Dipeptidyl peptidase-IV inhibitors FERRING BV (NL) 2007-12-19 CN disclosed
CN-1839150-A Lipopeptide antibacterial derivative composition and application method thereof MIGENIX INC (CA) 2006-09-27 CN disclosed
CN-1803797-A Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2006-07-19 CN disclosed
CN-1426395-A Dipeptidyl peptidase-IV inhibitors FERRING BV (NL) 2003-06-25 CN disclosed
EP-0123950-A2 Intermediates for thymosin alpha 1 and desacetylthymosin alpha 1 F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-11-07 EP disclosed