SCHEMBL29019142

SCHEMBL29019142

O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccc(Cl)cc1)C2=O)C(=O)O)N[C@@H]1C=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.46
ICAM1 P05362 20/20 0.46
ITGAL P20701 20/20 0.46

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
SCHEMBL29019143 1.00 ITGB2 (0.46) ITGB2ICAM1ITGAL
SCHEMBL29019149 0.94 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL29019150 0.94 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL30337085 0.94 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL23978551 0.85 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL24804798 0.85 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL26106455 0.85 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL24803248 0.81 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL23978993 0.81 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL23978734 0.81 ITGB2 (0.44) 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 1 patent. 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