SCHEMBL8102812

CN1C[C@@H](S)C[C@H]1C(=O)N1CC[C@H](NC(=O)CNC(=NC(=O)OCc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CCR2	P41597	3/20	0.38

▸	EPHX2	P34913	1/20	0.36

▸	DPP8	Q6V1X1	1/20	0.36

▸	DPP9	Q86TI2	1/20	0.36

▸	ALDH1A1	P00352	3/20	0.35

▸	MAPT	P10636	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	SIGMAR1	Q99720	2/20	0.34

▸	HSD11B1	P28845	1/20	0.33

▸	GAA	P10253	1/20	0.33

▸	TPSAB1	Q15661	1/20	0.32

▸	TPSD1	Q9BZJ3	1/20	0.32

▸	TPSG1	Q9NRR2	1/20	0.32

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
SCHEMBL8102807	1.00	CCR2 (0.38)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL7453530	0.91	CCR2 (0.36)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL7453533	0.91	CCR2 (0.36)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL5670546	0.90	CCR2 (0.36)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL5670549	0.90	CCR2 (0.36)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL5669276	0.89	CCR2 (0.39)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL7453675	0.87	ALDH1A1 (0.36)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL7453669	0.87	ALDH1A1 (0.36)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL8095140	0.87	GAA (0.38)	CCR2EPHX2DPP8DPP9ALDH1A1
SCHEMBL8095133	0.87	GAA (0.38)	CCR2EPHX2DPP8DPP9ALDH1A1

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-6090802-A	BACTERICIDE	SANKYO COMPANY, LIMITED (JP)	2000-07-18	—	—	US	disclosed