SCHEMBL7987066

SCHEMBL7987066

CC(C)(C)OC(=O)N=C(c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCc3nn(CC(=O)O)cc3C2)cc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
KMT2A Q03164 2/20 0.39
HCRTR2 O43614 5/20 0.39
HCRTR1 O43613 3/20 0.38
PABPC1 P11940 1/20 0.36
FPR1 P21462 4/20 0.36
FPR2 P25090 4/20 0.36
P2RX7 Q99572 1/20 0.35
PTGER4 P35408 1/20 0.35
ADORA1 P30542 1/20 0.33

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
SCHEMBL7992487 0.94 ITGB3 (0.54) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7992489 0.94 ITGB3 (0.54) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7975369 0.94 ITGB3 (0.54) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7985802 0.93 ITGB3 (0.46) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7992897 0.92 ITGB3 (0.52) ITGB3ITGA2BKMT2AHCRTR2FPR1
SCHEMBL7992289 0.91 ITGB3 (0.67) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7989496 0.90 ITGB3 (0.51) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7974819 0.89 ITGB3 (0.48) ITGB3ITGA2BKMT2AHCRTR2
SCHEMBL7974821 0.89 ITGB3 (0.48) ITGB3ITGA2BKMT2AHCRTR2
SCHEMBL7992560 0.88 ITGB3 (0.45) 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