SCHEMBL29207489

SCHEMBL29207489

COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCN5)ccc32)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.53
ITGAV P06756 20/20 0.53
ITGB1 P05556 2/20 0.49
ITGA5 P08648 2/20 0.49
ITGB5 P18084 3/20 0.48
ITGB6 P18564 3/20 0.48
ITGA2B P08514 1/20 0.47
ITGB8 P26012 1/20 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
SCHEMBL29207544 1.00 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL29207550 1.00 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL29207526 0.92 ITGB3 (0.53) ITGB3ITGAVITGB5
SCHEMBL29207553 0.92 ITGB3 (0.53) ITGB3ITGAVITGB5
SCHEMBL29207577 0.92 ITGB3 (0.53) ITGB3ITGAVITGB5
SCHEMBL29207481 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29207507 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29207535 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29207492 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29207461 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5

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-117500791-A Compounds useful for treating liver diseases 阿比奥尼克斯制药公司 2024-02-02 CN disclosed