SCHEMBL6129676

SCHEMBL6129676

CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2cccc(Cl)c2Cl)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.61
ITGB3 P05106 2/20 0.58
ITGA2B P08514 2/20 0.58
ITGA4 P13612 10/20 0.53
BCL2 P10415 3/20 0.52
ACE P12821 1/20 0.51
HDAC8 Q9BY41 1/20 0.49
MCL1 Q07820 1/20 0.49
ITGB1 P05556 2/20 0.47

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
SCHEMBL6129624 1.00 PTPN1 (0.61) PTPN1ITGB3ITGA2BITGA4BCL2
SCHEMBL8925517 0.92 PTPN1 (0.66) PTPN1ITGB3ITGA2BITGA4BCL2
SCHEMBL4417313 0.89 ITGA4 (0.62) PTPN1ITGB3ITGA2BITGA4ITGB1
SCHEMBL1309887 0.89 ITGA4 (0.62) PTPN1ITGB3ITGA2BITGA4ITGB1
SCHEMBL838170 0.89 ITGA4 (0.62) PTPN1ITGB3ITGA2BITGA4ITGB1
SCHEMBL30962391 0.85 CTSS (0.53) PTPN1ITGB3ITGA2BACEITGB1
SCHEMBL193474 0.83 PTPN1 (0.73) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL2891538 0.83 PTPN1 (0.73) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL193473 0.83 PTPN1 (0.73) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL11659351 0.83 GPR34 (0.61) PTPN1ITGB3ITGA2BBCL2ACE

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-1131343-A4 HYDROPHILIC SOMATOSTATIN ANALOGS ADMINISTRATORS OFTHE TULANE UN (US) 2005-02-02 EP disclosed
US-6465613-B1 ADMINISTERING A SOMATOSTATIN DERIVATIVE TO A PATIENT FOR SELECTIVELY TARGETING AND ARRESTING THE GROWTH OF AN ANGIOGENIC BLOOD VESSEL OR A CELL TULANE UNIVERSITY 2002-10-15 US disclosed
EP-1131343-A1 HYDROPHILIC SOMATOSTATIN ANALOGS THE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND (US) 2001-09-12 EP disclosed
WO-2000031122-A1 HYDROPHILIC SOMATOSTATIN ANALOGS TULANE UNIVERSITY (US) 2000-06-02 WO disclosed