SCHEMBL30279377

SCHEMBL30279377

O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cccc(Cl)c1)C2)C(=O)O)N[C@@H]1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.68
▸ ICAM1 P05362 20/20 0.68
▸ ITGAL P20701 20/20 0.68

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
SCHEMBL23978957 1.00 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL26107630 1.00 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL23978578 1.00 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL23978626 0.95 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL23978966 0.95 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL26476126 0.93 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL26476218 0.93 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL30279383 0.93 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL23978571 0.93 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL23978604 0.93 ITGB2 (0.74) ITGB2ICAM1ITGAL

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
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 — — CN disclosed
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 — — EP disclosed
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