SCHEMBL9219236

SCHEMBL9219236

CC(O)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1CO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TNF P01375 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL9219243 1.00 ACHE (0.39) ACHETNFKMT2AMEN1CA12
SCHEMBL9219422 0.88 AVPR1A (0.35) KMT2AMAPT
SCHEMBL9219416 0.88 AVPR1A (0.35) KMT2AMAPT
SCHEMBL9224938 0.87 ACHE (0.43) ACHEKDM4E
SCHEMBL9224944 0.87 ACHE (0.43) ACHEKDM4E
SCHEMBL9222223 0.85 AVPR1A (0.45) ACHETNFKMT2AMEN1CA12
SCHEMBL9222227 0.85 AVPR1A (0.45) ACHETNFKMT2AMEN1CA12
SCHEMBL9227516 0.84 HTR2A (0.37) ACHETNFKMT2AMEN1CA12
SCHEMBL9227512 0.84 HTR2A (0.37) ACHETNFKMT2AMEN1CA12
SCHEMBL9228503 0.80 ALDH1A1 (0.42) ACHETNFKMT2AMEN1ALDH1A1

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