SCHEMBL7992676

SCHEMBL7992676

CCCCS(=O)(=O)Nc1ccc(C[C@H](NC(=O)c2ccc(C(=N)N)cc2)C(=O)N2CCc3sc(CC(=O)OCC)cc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
HCRTR2 O43614 5/20 0.39
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 3/20 0.35
PLG P00747 5/20 0.35
PLAU P00749 3/20 0.35
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
MRGPRX1 Q96LB2 2/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL7985418 0.96 ITGB3 (0.44) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
SCHEMBL7989414 0.88 ITGB3 (0.47) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7985628 0.88 ITGB3 (0.46) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7985697 0.88 ITGB3 (0.44) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
SCHEMBL7986391 0.86 ADORA1 (0.47) ITGB3ITGA2BKMT2A
SCHEMBL7988448 0.86 ITGB3 (0.50) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7986550 0.86 ITGB3 (0.44) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
SCHEMBL7988424 0.85 ITGB3 (0.57) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7986421 0.85 ITGB3 (0.43) ITGB3ITGA2BHCRTR2HCRTR1PLG
SCHEMBL7986490 0.84 ADORA1 (0.37) ITGB3ITGA2BHCRTR2KMT2AHCRTR1

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

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