SCHEMBL7974819

SCHEMBL7974819

CC(C)C[C@H](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)C(=O)N1CCc2nn(CC(=O)O)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HCRTR2 O43614 2/20 0.34
MAPT P10636 1/20 0.34
CCR1 P32246 2/20 0.33
GRAMD1A Q96CP6 1/20 0.33
MAPK1 P28482 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7974821 1.00 ITGB3 (0.48) ITGB3ITGA2BTDP1KMT2AMEN1
SCHEMBL7975356 0.92 ITGB3 (0.42) ITGB3ITGA2BTDP1KMT2AMEN1
SCHEMBL7975357 0.92 ITGB3 (0.42) ITGB3ITGA2BTDP1KMT2AMEN1
SCHEMBL7992556 0.92 ITGB3 (0.45) ITGB3ITGA2BTDP1KMT2AGRAMD1A
SCHEMBL7992560 0.92 ITGB3 (0.45) ITGB3ITGA2BTDP1KMT2AGRAMD1A
SCHEMBL7992489 0.91 ITGB3 (0.54) ITGB3ITGA2BKMT2AHCRTR2HRH2
SCHEMBL7992487 0.91 ITGB3 (0.54) ITGB3ITGA2BKMT2AHCRTR2HRH2
SCHEMBL7987066 0.89 ITGB3 (0.54) ITGB3ITGA2BKMT2AHCRTR2
SCHEMBL7975369 0.89 ITGB3 (0.54) ITGB3ITGA2BKMT2AHCRTR2HRH2
SCHEMBL7992897 0.88 ITGB3 (0.52) ITGB3ITGA2BKMT2AHCRTR2

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