SCHEMBL7992560

SCHEMBL7992560

C[C@H](NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C(=O)N1CCc2nn(CC(=O)O)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
ATM Q13315 1/20 0.37
GRAMD1A Q96CP6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.32
ENPP2 Q13822 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
NAMPT P43490 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
SCHEMBL7992556 1.00 ITGB3 (0.45) ITGB3ITGA2BATMGRAMD1ATDP1
SCHEMBL7986333 0.92 ITGB3 (0.39) ITGB3ITGA2BATMGRAMD1ATDP1
SCHEMBL7974821 0.92 ITGB3 (0.48) ITGB3ITGA2BGRAMD1ATDP1KMT2A
SCHEMBL7986328 0.92 ITGB3 (0.39) ITGB3ITGA2BATMGRAMD1ATDP1
SCHEMBL7974819 0.92 ITGB3 (0.48) ITGB3ITGA2BGRAMD1ATDP1KMT2A
SCHEMBL7992489 0.90 ITGB3 (0.54) ITGB3ITGA2BKMT2AHRH2HRH1
SCHEMBL7992487 0.90 ITGB3 (0.54) ITGB3ITGA2BKMT2AHRH2HRH1
SCHEMBL7987066 0.88 ITGB3 (0.54) ITGB3ITGA2BKMT2A
SCHEMBL7975369 0.88 ITGB3 (0.54) ITGB3ITGA2BKMT2AHRH2HRH1
SCHEMBL7992897 0.86 ITGB3 (0.52) ITGB3ITGA2BKMT2A

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