SCHEMBL7985147

SCHEMBL7985147

CCOC(=O)Cn1cc2c(c1)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.39
P2RX7 Q99572 3/20 0.39
HCRTR2 O43614 2/20 0.38
MAPK1 P28482 1/20 0.37
DRD2 P14416 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7988313 0.86 ITGB3 (0.59) ADORA1ITGB3ITGA2BPPARGPPARA
SCHEMBL7992293 0.85 ADORA1 (0.46) ADORA1ITGB3ITGA2BPPARGPPARA
SCHEMBL7986489 0.84 ITGB3 (0.64) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
SCHEMBL8131164 0.84 ITGB3 (0.45) ADORA1ITGB3ITGA2BPPARGPPARA
Trifluoroacetic Acid SCHEMBL7975402 0.83 ITGB3 (0.62) ADORA1ITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL7985559 0.83 ADORA1 (0.50) ADORA1ITGB3ITGA2BPPARGPPARA
SCHEMBL7988438 0.82 ADORA1 (0.48) ADORA1ITGB3ITGA2BPPARGPPARA
SCHEMBL7985928 0.81 ADORA1 (0.48) ADORA1ITGB3ITGA2BPPARGPPARA
SCHEMBL7994609 0.81 ITGB3 (0.37) ADORA1ITGB3ITGA2BPPARGPPARA
SCHEMBL7989356 0.80 ADORA1 (0.52) ADORA1ITGB3ITGA2BPPARGPPARA

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