SCHEMBL7992152

SCHEMBL7992152

CC(C)OC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
HCRTR2 O43614 5/20 0.35
KMT2A Q03164 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CA2 P00918 1/20 0.33
ADORA1 P30542 1/20 0.33
HCRTR1 O43613 3/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 1/20 0.31
BACE1 P56817 1/20 0.31
GRAMD1A Q96CP6 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
SCHEMBL7975424 0.93 ITGB3 (0.40) ITGB3ITGA2BHCRTR2KMT2APRMT5
SCHEMBL7986751 0.93 ITGB3 (0.44) ITGB3ITGA2BHCRTR2KMT2APRMT5
SCHEMBL7985759 0.87 ADORA1 (0.39) ITGB3ITGA2BHCRTR2KMT2APRMT5
SCHEMBL7989036 0.87 ADORA1 (0.35) ITGB3ITGA2BKMT2APRMT5WDR77
SCHEMBL7986784 0.86 ITGB3 (0.37) ITGB3ITGA2BHCRTR2PRMT5WDR77
SCHEMBL7975776 0.86 HCRTR2 (0.47) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7975773 0.86 HCRTR2 (0.47) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7986216 0.85 ADORA1 (0.33) ITGB3ITGA2BPRMT5WDR77ADORA1
SCHEMBL7974748 0.84 HCRTR2 (0.46) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7974753 0.84 HCRTR2 (0.46) HCRTR2KMT2AADORA1HCRTR1

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