SCHEMBL7708231

CC1Oc2ccc(C(Cc3ccc(S(N)(=O)=O)cc3)NC(=O)OC(C)(C)C)cc2NC1=O.CC1Oc2ccc(C(Cc3ccc([N+](=O)[O-])cc3)NC(=O)OC(C)(C)C)cc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CA2	P00918	9/20	0.39

▸	PPARG	P37231	1/20	0.36

▸	PPARA	Q07869	1/20	0.36

▸	CA1	P00915	3/20	0.36

▸	CA9	Q16790	3/20	0.36

▸	CA4	P22748	1/20	0.36

▸	CA7	P43166	1/20	0.36

▸	PARP1	P09874	1/20	0.35

▸	ITGA4	P13612	1/20	0.34

▸	ITGB7	P26010	1/20	0.34

▸	MMP1	P03956	2/20	0.34

▸	MMP2	P08253	2/20	0.34

▸	MMP9	P14780	2/20	0.34

▸	MMP8	P22894	2/20	0.34

▸	MMP13	P45452	2/20	0.34

▸	CA12	O43570	2/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL7708229	0.92	CA2 (0.35)	CA2PPARGPPARACA1CA9
SCHEMBL7708221	0.87	PARP1 (0.40)	PARP1
SCHEMBL7713283	0.86	PARP1 (0.40)	PARP1ITGA4ITGB7
SCHEMBL7095139	0.85	CA2 (0.41)	CA2CA1CA9CA4CA7
SCHEMBL7710783	0.85	PPARG (0.39)	PPARGPPARAITGA4ITGB7MMP1
SCHEMBL7713294	0.83	PARP1 (0.42)	PARP1
SCHEMBL7708144	0.83	PARP1 (0.42)	PARP1
SCHEMBL7713338	0.83	PARP1 (0.42)	PPARGPPARAPARP1
SCHEMBL7713374	0.82	PARP1 (0.50)	PARP1
SCHEMBL7711371	0.82	PARP1 (0.41)	PPARGPPARAPARP1

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-6365736-B1	TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS.	SCHERING AKTIENGESELLSCHAFT (DE)	2002-04-02	—	—	US	disclosed