SCHEMBL9220745

SCHEMBL9220745

CC(O)C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1COS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CA4 P22748 1/20 0.35
HTR2A P28223 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 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
SCHEMBL9220750 1.00 CA12 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL9227516 0.90 HTR2A (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL9227512 0.90 HTR2A (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL10422331 0.87 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL9219465 0.87 AVPR1A (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL9219468 0.87 AVPR1A (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL9224938 0.85 ACHE (0.43) ACHE
SCHEMBL9224944 0.85 ACHE (0.43) ACHE
SCHEMBL9228503 0.85 ALDH1A1 (0.42) ALDH1A1HTR2AACHEKMT2AMAPT
SCHEMBL9228509 0.85 ALDH1A1 (0.42) ALDH1A1HTR2AACHEKMT2AMAPT

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