SCHEMBL7986784

SCHEMBL7986784

CC(C)(C)OC(=O)N=C(c1ccc(CN[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCc3sc(CC(=O)O)cc3C2)cc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ADORA1 P30542 2/20 0.33
HCRTR2 O43614 5/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HCRTR1 O43613 1/20 0.31
NR1D1 P20393 1/20 0.30

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
SCHEMBL7986751 0.93 ITGB3 (0.44) ITGB3ITGA2BPRMT5WDR77ADORA1
SCHEMBL7989036 0.93 ADORA1 (0.35) ITGB3ITGA2BITGA4ITGB7PRMT5
SCHEMBL7989195 0.88 ADORA1 (0.39) ITGB3ITGA2BPRMT5WDR77ADORA1
SCHEMBL7992152 0.86 ITGB3 (0.40) ITGB3ITGA2BPRMT5WDR77ADORA1
SCHEMBL7975424 0.86 ITGB3 (0.40) ITGB3ITGA2BPRMT5WDR77ADORA1
SCHEMBL7974753 0.85 HCRTR2 (0.46) ADORA1HCRTR2HCRTR1
SCHEMBL7974748 0.85 HCRTR2 (0.46) ADORA1HCRTR2HCRTR1
SCHEMBL8130693 0.84 PRMT5 (0.33) PRMT5WDR77
SCHEMBL7993159 0.83 ITGB3 (0.57) ITGB3ITGA2BITGA4ITGB7PPARG
SCHEMBL7992731 0.81 ITGA4 (0.38) ITGB3ITGA2BITGA4ITGB7ADORA1

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