SCHEMBL7985559

SCHEMBL7985559

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.50
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KMT2A Q03164 2/20 0.39
P2RX7 Q99572 3/20 0.37
MAPK1 P28482 1/20 0.36
PTPRB P23467 1/20 0.36
LMNA P02545 1/20 0.36
HCRTR2 O43614 2/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7986064 0.92 ADORA1 (0.50) ADORA1KMT2AP2RX7MAPK1HCRTR2
SCHEMBL7992666 0.90 ADORA1 (0.56) ADORA1ITGB3ITGA2BKMT2AP2RX7
SCHEMBL7986071 0.90 ADORA1 (0.52) ADORA1KMT2AP2RX7MAPK1PTPRB
SCHEMBL7987060 0.90 ADORA1 (0.43) ADORA1PPARGPPARAKMT2ALMNA
SCHEMBL7986065 0.88 ADORA1 (0.51) ADORA1PPARGPPARAKMT2AP2RX7
SCHEMBL7992050 0.88 ADORA1 (0.52) ADORA1KMT2AMAPK1PTPRBHCRTR2
SCHEMBL7975232 0.88 ADORA1 (0.51) ADORA1KMT2AP2RX7
SCHEMBL7974860 0.88 YAP1 (0.40) ADORA1ITGB3ITGA2BKMT2AP2RX7
SCHEMBL7985657 0.87 ADORA1 (0.50) ADORA1KMT2AP2RX7MAPK1PTPRB
SCHEMBL7986612 0.87 ITGB3 (0.40) ADORA1ITGB3ITGA2BKMT2AP2RX7

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