SCHEMBL7924876

SCHEMBL7924876

COC(=O)C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)C(Cc1ccc(OC)cc1)NC(=O)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGA2B P08514 15/20 0.49
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGA2 P17301 1/20 0.38
USP5 P45974 1/20 0.37

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
SCHEMBL7924873 1.00 ITGB3 (0.49) ITGB3ITGA2BCA2KMT2AITGA2
SCHEMBL7924865 1.00 ITGB3 (0.49) ITGB3ITGA2BCA2KMT2AITGA2
SCHEMBL7299479 0.86 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7301414 0.86 ITGB3 (0.67) ITGB3ITGA2BCA2
Trifluoroacetic Acid SCHEMBL7924867 0.84 ITGB3 (0.48) ITGB3ITGA2BITGA2
Trifluoroacetic Acid SCHEMBL7366990 0.84 ITGB3 (0.48) ITGB3ITGA2BITGA2
Trifluoroacetic Acid SCHEMBL7931550 0.81 ITGB3 (0.48) ITGB3ITGA2BCA2
Trifluoroacetic Acid SCHEMBL7931542 0.81 ITGB3 (0.48) ITGB3ITGA2BCA2
SCHEMBL7298904 0.80 ITGB3 (0.46) ITGB3ITGA2BKMT2A
SCHEMBL7298219 0.79 ITGB3 (0.61) 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-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed