SCHEMBL29207486

SCHEMBL29207486

CCCCCC(CC(=O)O)n1ncc2cc(OCCc3ccc4c(n3)CCCN4)ccc21

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.54
ITGAV P06756 20/20 0.54
ITGB5 P18084 3/20 0.44

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
SCHEMBL29207465 0.95 ITGB3 (0.59) ITGB3ITGAVITGB5
SCHEMBL20139761 0.88 ITGB3 (0.69) ITGB3ITGAVITGB5
SCHEMBL29207593 0.85 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29207500 0.85 ITGB3 (0.47) ITGB3ITGAVITGB5
SCHEMBL29207490 0.84 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29207482 0.84 ITGB3 (0.46) ITGB3ITGAVITGB5
SCHEMBL29207554 0.84 ITGB3 (0.50) ITGB3ITGAVITGB5
SCHEMBL29207459 0.83 ITGB3 (0.48) ITGB3ITGAVITGB5
SCHEMBL29207535 0.83 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL29207492 0.83 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