SCHEMBL31085337

SCHEMBL31085337

CCCCC(=O)NC(CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.82
ITGB6 P18564 9/20 0.82
ITGB3 P05106 12/20 0.74
ITGB5 P18084 1/20 0.61
ITGB8 P26012 1/20 0.61

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
SCHEMBL26971150 0.92 ITGAV (0.78) ITGAVITGB6ITGB3
SCHEMBL31120575 0.90 ITGAV (1.00) ITGAVITGB6ITGB3
SCHEMBL21826145 0.90 ITGAV (1.00) ITGAVITGB6ITGB3
SCHEMBL21826144 0.90 ITGAV (1.00) ITGAVITGB6ITGB3
SCHEMBL21853118 0.90 ITGAV (1.00) ITGAVITGB6ITGB3
SCHEMBL31085274 0.90 ITGAV (1.00) ITGAVITGB6ITGB3
SCHEMBL31085253 0.90 ITGAV (1.00) ITGAVITGB6ITGB3
SCHEMBL21852947 0.90 ITGAV (1.00) ITGAVITGB6ITGB3
SCHEMBL21853222 0.89 ITGAV (0.80) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL21853010 0.89 ITGAV (0.80) ITGAVITGB6ITGB3ITGB5ITGB8

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