SCHEMBL7366741

SCHEMBL7366741

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O.NC(=O)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.60
BCL2 P10415 1/20 0.55
ITGB3 P05106 7/20 0.55
ITGA2B P08514 7/20 0.55
GPR132 Q9UNW8 2/20 0.54
PPARG P37231 2/20 0.52
ACE P12821 2/20 0.52
YAP1 P46937 1/20 0.52
PPARA Q07869 1/20 0.51
MME P08473 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL2891538 0.88 PTPN1 (0.73) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL193474 0.88 PTPN1 (0.73) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL193473 0.88 PTPN1 (0.73) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL10421039 0.84 PTPN1 (0.59) PTPN1BCL2ITGB3ITGA2BGPR132
SCHEMBL792956 0.84 BCL2 (0.64) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL28267499 0.84 PTPN1 (0.77) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL28267496 0.84 PTPN1 (0.77) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL793015 0.82 BCL2 (0.62) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL7443966 0.82 PTPN1 (0.61) PTPN1BCL2ITGB3ITGA2BPPARG
SCHEMBL7366740 0.82 PSMB1 (0.62) PTPN1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217286-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1987-04-08 EP disclosed