SCHEMBL7943530

SCHEMBL7943530

O=C(CNC(=O)C(CCC1CCNCC1)CCC1CCNCC1)NCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.49
ITGA2B P08514 19/20 0.49
ITGAV P06756 1/20 0.43

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
Hydrochloric Acid SCHEMBL7943500 0.99 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL6971973 0.95 ITGB3 (0.49) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7943630 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7951148 0.91 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL6971795 0.85 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL6963793 0.85 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6966724 0.85 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6974515 0.85 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL6970720 0.85 ITGB3 (0.56) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7952205 0.85 ITGB3 (0.60) ITGB3ITGA2B

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
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US claimed