SCHEMBL5727469

SCHEMBL5727469

CC(C)(C)OC(=O)NC(Cc1ccc(OCCCl)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.74
ITGA2B P08514 8/20 0.74
PTPN1 P18031 3/20 0.57
ACE P12821 1/20 0.56
HDAC8 Q9BY41 1/20 0.53
BCL2 P10415 1/20 0.51
CTSS P25774 4/20 0.50
CTSK P43235 4/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49

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
SCHEMBL2728905 1.00 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL14343053 0.90 ITGB3 (0.70) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL5892285 0.89 ITGB3 (0.60) ITGB3ITGA2BPTPN1HDAC8BCL2
SCHEMBL2728593 0.89 ITGB3 (0.60) ITGB3ITGA2BPTPN1HDAC8BCL2
SCHEMBL6685168 0.89 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL6998950 0.89 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL14937759 0.88 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL27180793 0.88 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL13367280 0.88 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL16861093 0.88 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACEHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1502590-B1 Heterocyclic oxime derivatives, process for their preparation and use thereof in the treatment of type II diabetes SERVIER LAB (FR) 2006-12-20 EP disclosed
EP-1502590-A1 Heterocyclic oxime derivatives, process for their preparation and use thereof in the treatment of type II diabetes Les Laboratoires Servier (FR) 2005-02-02 EP disclosed
CN-1152338-A Streptogramines and method for preparing same by mutasynthesis RHONE POULENC RORER SA (FR) 1997-06-18 CN disclosed