SCHEMBL10422331

C[C@@H](O)C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1C(O)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	2/20	0.37

▸	CA1	P00915	2/20	0.37

▸	CA2	P00918	2/20	0.37

▸	CA9	Q16790	2/20	0.37

▸	ALDH1A1	P00352	3/20	0.36

▸	CA4	P22748	1/20	0.36

▸	HTR2A	P28223	1/20	0.35

▸	KMT2A	Q03164	2/20	0.35

▸	ACHE	P22303	1/20	0.35

▸	MAPT	P10636	1/20	0.35

▸	HPGD	P15428	1/20	0.35

▸	MEN1	O00255	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.

Compound	similarity	top predicted	shared targets
SCHEMBL9220750	0.87	CA12 (0.36)	CA12CA1CA2CA9ALDH1A1
SCHEMBL9220745	0.87	CA12 (0.36)	CA12CA1CA2CA9ALDH1A1
SCHEMBL9219468	0.86	AVPR1A (0.40)	CA12CA1CA2CA9ALDH1A1
SCHEMBL9227512	0.86	HTR2A (0.37)	CA12CA1CA2CA9ALDH1A1
SCHEMBL9227516	0.86	HTR2A (0.37)	CA12CA1CA2CA9ALDH1A1
SCHEMBL9219465	0.86	AVPR1A (0.40)	CA12CA1CA2CA9ALDH1A1
SCHEMBL10422238	0.82	CA12 (0.37)	CA12CA1CA2CA9ALDH1A1
SCHEMBL9224938	0.82	ACHE (0.43)	ACHE
SCHEMBL9224944	0.82	ACHE (0.43)	ACHE
SCHEMBL9228503	0.81	ALDH1A1 (0.42)	ALDH1A1HTR2AKMT2AACHEMAPT

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-4898859-A	2-Oxa-isocephem compounds and compositions containing same	OTSUKA PHARMACEUTICAL CO., LTD. (JP)	1990-02-06	—	—	US	disclosed