SCHEMBL11368691

SCHEMBL11368691

CC(C)(C)OC(=O)N[C@H](CCOc1ccc(C=O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
PPARA Q07869 8/20 0.46
PPARG P37231 7/20 0.46
PTPN1 P18031 3/20 0.46
IDO1 P14902 1/20 0.43
ACE P12821 1/20 0.42
SUCNR1 Q9BXA5 3/20 0.42
PPARD Q03181 2/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL17373573 0.88 PPARA (0.53) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL17373574 0.88 PPARA (0.53) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL9089268 0.86 ITGB3 (0.58) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL9089276 0.86 ITGB3 (0.58) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL9089274 0.86 ITGB3 (0.58) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL11455855 0.84 ITGB3 (0.56) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL11381983 0.84 PPARA (0.44) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL11370281 0.83 ITGB3 (0.55) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL27757439 0.83 ITGB3 (0.61) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL27757441 0.83 ITGB3 (0.61) ITGB3ITGA2BPPARAPPARGPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
EP-0005507-A1 Process for the fragmentation of 3-(2-hydroxyimino-acetylamino)-2-oxo azetidin compounds and compounds obtained thereby CIBA-GEIGY AG (CH) 1979-11-28 EP disclosed