SCHEMBL9224867

SCHEMBL9224867

CC(O)C(C(=O)OCc1ccccc1)N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.58
ACHE P22303 2/20 0.40
ADORA3 P0DMS8 3/20 0.39
PDE1C Q14123 1/20 0.38
ITGA4 P13612 1/20 0.36
ITGB7 P26010 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
SCHEMBL9224873 1.00 AVPR1A (0.58) AVPR1AACHEADORA3PDE1CITGA4
SCHEMBL9221959 0.98 AVPR1A (0.55) AVPR1AACHEADORA3PDE1C
SCHEMBL9221961 0.98 AVPR1A (0.55) AVPR1AACHEADORA3PDE1C
SCHEMBL9220778 0.94 AVPR1A (0.52) AVPR1AACHE
SCHEMBL9220771 0.94 AVPR1A (0.52) AVPR1AACHE
SCHEMBL9225930 0.88 AVPR1A (0.68) AVPR1AADORA3
SCHEMBL9225933 0.88 AVPR1A (0.68) AVPR1AADORA3
SCHEMBL9222223 0.88 AVPR1A (0.45) AVPR1AACHEADORA3
SCHEMBL9222227 0.88 AVPR1A (0.45) AVPR1AACHEADORA3
SCHEMBL9224938 0.86 ACHE (0.43) AVPR1AACHEPDE1CITGA4ITGB7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282895-B1 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1995-06-07 EP disclosed
US-5037976-A Antimicrobial Agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 US disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed