SCHEMBL8467965

SCHEMBL8467965

CCOC(=O)CN1CCc2cc(C(=O)O)ccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.59
ITGB3 P05106 13/20 0.49
ITGA2B P08514 13/20 0.49
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.46
PIN1 Q13526 1/20 0.45
PIN4 Q9Y237 1/20 0.45

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
SCHEMBL6834547 0.85 AOC3 (0.61) AOC3ITGB3ITGA2BALOX15PIN1
SCHEMBL29505381 0.84 AOC3 (0.60) AOC3ITGB3ITGA2BALOX15PIN1
SCHEMBL14061622 0.84 AOC3 (0.60) AOC3ITGB3ITGA2BALOX15PIN1
SCHEMBL7797432 0.83 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL6833682 0.83 AOC3 (0.68) AOC3ITGB3ITGA2B
SCHEMBL4070429 0.81 AOC3 (0.56) AOC3ALOX15PIN1PIN4
SCHEMBL14062095 0.81 AOC3 (0.59) AOC3ITGB3ITGA2B
SCHEMBL19510710 0.77 AOC3 (0.53) AOC3ITGB3ITGA2BALOX15PIN1
SCHEMBL29505424 0.77 AOC3 (0.53) AOC3ITGB3ITGA2BALOX15PIN1
SCHEMBL14061892 0.77 AOC3 (0.53) AOC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed