SCHEMBL7986328

SCHEMBL7986328

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](C)NC(=O)c1ccc(/C(=N\C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA1 P30542 2/20 0.32
GRAMD1A Q96CP6 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7986333 1.00 ITGB3 (0.39) ITGB3ITGA2BATMTDP1KMT2A
SCHEMBL7975357 0.92 ITGB3 (0.42) ITGB3ITGA2BATMTDP1KMT2A
SCHEMBL7975356 0.92 ITGB3 (0.42) ITGB3ITGA2BATMTDP1KMT2A
SCHEMBL7992560 0.92 ITGB3 (0.45) ITGB3ITGA2BATMTDP1KMT2A
SCHEMBL7992556 0.92 ITGB3 (0.45) ITGB3ITGA2BATMTDP1KMT2A
SCHEMBL7975414 0.90 ITGB3 (0.47) ITGB3ITGA2BTDP1KMT2AADORA1
SCHEMBL7975417 0.90 ITGB3 (0.47) ITGB3ITGA2BTDP1KMT2AADORA1
SCHEMBL7986284 0.89 ITGB3 (0.46) ITGB3ITGA2BTDP1KMT2AADORA1
SCHEMBL7985802 0.89 ITGB3 (0.46) ITGB3ITGA2BKMT2AADORA1IDO1
SCHEMBL7988232 0.87 ITGB3 (0.45) ITGB3ITGA2BKMT2AADORA1

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