SCHEMBL7435472

SCHEMBL7435472

CCCCCCCC(C(=O)O)c1ccc2c(n1)NCCC2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.54
ITGB3 P05106 14/20 0.54
ITGB6 P18564 6/20 0.47

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
SCHEMBL4530325 0.76 ITGAV (0.43) ITGAVITGB3ITGB6
SCHEMBL21715684 0.74 ITGAV (0.40) ITGAVITGB3ITGB6
SCHEMBL21715687 0.73 ITGAV (0.39) ITGAVITGB3ITGB6
SCHEMBL7564709 0.72 ITGAV (0.76) ITGAVITGB3ITGB6
SCHEMBL31085337 0.72 ITGAV (0.82) ITGAVITGB3ITGB6
SCHEMBL21766819 0.71 ITGAV (0.60) ITGAVITGB3ITGB6
SCHEMBL23292848 0.71 ITGAV (0.44) ITGAVITGB3ITGB6
SCHEMBL21780649 0.71 ITGAV (0.60) ITGAVITGB3ITGB6
SCHEMBL5301992 0.71 ITGAV (0.78) ITGAVITGB3ITGB6
SCHEMBL5301988 0.71 ITGAV (0.78) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3813818-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-05-05 EP disclosed
EP-1187592-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-06 EP disclosed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
EP-1187592-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-03-20 EP disclosed
WO-2000072801-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-07 WO disclosed