Sugi Predict

Sugi Predict / Compounds / SCHEMBL7993666

SCHEMBL7993666

SCHEMBL7993666

CCOC(=O)Cn1nc2c(c1OC)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)CC2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ADORA1 P30542 2/20 0.34
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL7986788 0.94 ITGB3 (0.43) ITGB3ITGA2BADORA1LMNA
SCHEMBL8156014 0.94 ITGB3 (0.38) ITGB3ITGA2BADORA1ITGA4ITGB7
SCHEMBL8125176 0.87 ITGB3 (0.45) ITGB3ITGA2BADORA1ITGA4ITGB7
SCHEMBL7994609 0.85 ITGB3 (0.37) ITGB3ITGA2BADORA1ITGA4ITGB7
SCHEMBL7985928 0.82 ADORA1 (0.48) ITGB3ITGA2BADORA1LMNA
SCHEMBL7993159 0.82 ITGB3 (0.57) ITGB3ITGA2BITGA4ITGB7
SCHEMBL7987826 0.82 ITGB3 (0.48) ITGB3ITGA2BITGA4ITGB7
SCHEMBL7989036 0.81 ADORA1 (0.35) ITGB3ITGA2BADORA1ITGA4ITGB7
SCHEMBL7987698 0.81 ITGB3 (0.49) ITGB3ITGA2BITGA4ITGB7
SCHEMBL7975307 0.81 ITGB3 (0.58) ITGB3ITGA2BADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 — — US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 — — EP disclosed