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SCHEMBL9450495

SCHEMBL9450495

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)OC(=O)[C@@H](N)CO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.44
▸ ITGA2B P08514 11/20 0.44
▸ CMA1 P23946 5/20 0.43
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ EPHA2 P29317 2/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ CXCR4 P61073 1/20 0.38

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
SCHEMBL6670339 0.83 F2 (0.48) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL6673600 0.83 F2 (0.48) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL9450493 0.81 EPHA2 (0.47) EPHA2CXCR4
SCHEMBL30892670 0.80 ITGB3 (0.49) ITGB3ITGA2BCMA1F2PRSS1
Hydrochloric Acid SCHEMBL9450496 0.80 EPHA2 (0.46) EPHA2CXCR4
SCHEMBL9450486 0.79 EPHA2 (0.46) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL29669537 0.79 EPHA2 (0.49) EPHA2CXCR4
SCHEMBL29391210 0.78 CMA1 (0.56) CMA1F2PRSS1CTRC
Pentigetide SCHEMBL29861 0.77 EPHA2 (0.49) EPHA2CXCR4
Pentigetide SCHEMBL29426506 0.77 EPHA2 (0.49) EPHA2CXCR4

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
US-5212287-A Multistage synthesis of oligopeptides with protection of side groups then deprotection after reaction IMMUNETECH PHARMACEUTICALS, INC. (US) 1993-05-18 — — US disclosed