SCHEMBL31085342

SCHEMBL31085342

CC(C)(C)C(=O)N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.73
ITGB3 P05106 9/20 0.73
ITGB6 P18564 11/20 0.70

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
SCHEMBL21852921 1.00 ITGAV (0.73) ITGAVITGB3ITGB6
SCHEMBL23292878 1.00 ITGAV (0.73) ITGAVITGB3ITGB6
SCHEMBL6422120 0.90 ITGAV (0.79) ITGAVITGB3ITGB6
SCHEMBL6422124 0.90 ITGAV (0.79) ITGAVITGB3ITGB6
SCHEMBL21853045 0.90 ITGAV (0.73) ITGAVITGB3ITGB6
SCHEMBL21852987 0.90 ITGAV (0.73) ITGAVITGB3ITGB6
SCHEMBL31085354 0.90 ITGAV (0.73) ITGAVITGB3ITGB6
SCHEMBL31085250 0.90 ITGAV (0.73) ITGAVITGB3ITGB6
SCHEMBL24336626 0.89 ITGAV (0.67) ITGAVITGB3ITGB6
SCHEMBL21853232 0.88 ITGAV (0.84) ITGAVITGB3ITGB6

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-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 CN disclosed