SCHEMBL8540345

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)C[C@@H](O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.34

▸	LMNA	P02545	1/20	0.34

▸	CCR5	P51681	18/20	0.33

▸	DPP8	Q6V1X1	1/20	0.32

▸	DPP9	Q86TI2	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
SCHEMBL8537620	1.00	ALDH1A1 (0.34)	ALDH1A1LMNACCR5DPP8DPP9
SCHEMBL8108963	0.94	ALDH1A1 (0.38)	ALDH1A1LMNACCR5DPP8DPP9
SCHEMBL8102657	0.90	CCR5 (0.36)	ALDH1A1LMNACCR5
SCHEMBL8542201	0.86	CCR5 (0.38)	CCR5
SCHEMBL8108693	0.86	CCR5 (0.38)	CCR5
SCHEMBL8095156	0.86	CCR5 (0.38)	CCR5
SCHEMBL8110594	0.86	CCR5 (0.38)	CCR5
SCHEMBL8110554	0.81	CCR5 (0.46)	ALDH1A1LMNACCR5
SCHEMBL8095104	0.80	CCR5 (0.35)	ALDH1A1LMNACCR5DPP8DPP9
SCHEMBL8535077	0.80	CCR5 (0.35)	ALDH1A1LMNACCR5DPP8DPP9

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
EP-0882728-A1	1-METHYLCARBAPENEM DERIVATIVES	SANKYO COMPANY LIMITED (JP)	1998-12-09	—	—	EP	disclosed