SCHEMBL7986751

SCHEMBL7986751

CC(C)(C)OC(=O)N=C(c1ccc(C(=O)N[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 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
HCRTR2 O43614 5/20 0.38
KMT2A Q03164 1/20 0.37
ADORA1 P30542 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HCRTR1 O43613 3/20 0.35
CA2 P00918 1/20 0.35
P2RX7 Q99572 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7986784 0.93 ITGB3 (0.37) ITGB3ITGA2BHCRTR2ADORA1PRMT5
SCHEMBL7992152 0.93 ITGB3 (0.40) ITGB3ITGA2BHCRTR2KMT2AADORA1
SCHEMBL7975424 0.93 ITGB3 (0.40) ITGB3ITGA2BHCRTR2KMT2AADORA1
SCHEMBL7974753 0.92 HCRTR2 (0.46) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7974748 0.92 HCRTR2 (0.46) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7989195 0.89 ADORA1 (0.39) ITGB3ITGA2BADORA1PRMT5WDR77
SCHEMBL7988324 0.88 HCRTR2 (0.42) HCRTR2KMT2AADORA1HCRTR1P2RX7
SCHEMBL7975776 0.87 HCRTR2 (0.47) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7975773 0.87 HCRTR2 (0.47) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7985759 0.86 ADORA1 (0.39) ITGB3ITGA2BHCRTR2KMT2AADORA1

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