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SCHEMBL9536550

SCHEMBL9536550

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.59
▸ ITGB3 P05106 3/20 0.55
▸ ITGA2B P08514 3/20 0.55
▸ BCL2 P10415 1/20 0.54
▸ ACE P12821 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ MME P08473 1/20 0.51
▸ CPA1 P15085 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ YAP1 P46937 1/20 0.51

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
SCHEMBL9439254 0.97 BCL2 (0.56) PTPN1ITGB3ITGA2BBCL2
SCHEMBL9438871 0.89 CTSK (0.57) PTPN1ACE
SCHEMBL9538805 0.88 CTSK (0.54) PTPN1ITGB3ITGA2BACE
SCHEMBL193474 0.87 PTPN1 (0.73) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL2891538 0.87 PTPN1 (0.73) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL193473 0.87 PTPN1 (0.73) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL9439184 0.84 CTSK (0.55) PTPN1ITGB3ITGA2B
SCHEMBL28267496 0.83 PTPN1 (0.77) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL28267499 0.83 PTPN1 (0.77) PTPN1ITGB3ITGA2BBCL2ACE
SCHEMBL6685168 0.81 ITGB3 (0.79) PTPN1ITGB3ITGA2BACE

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
EP-0480969-A4 AMINO ACID ANALOG CCK ANTAGONISTS — 1993-01-07 — — EP disclosed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 — — EP disclosed