SCHEMBL8095366

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H](OC(=O)OCc3ccc([N+](=O)[O-])cc3)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MCL1	Q07820	8/20	0.40

▸	ALDH1A1	P00352	1/20	0.39

▸	LMNA	P02545	1/20	0.39

▸	MAPT	P10636	1/20	0.39

▸	USP30	Q70CQ3	3/20	0.39

▸	BCL2	P10415	1/20	0.39

▸	FPR3	P25089	1/20	0.37

▸	FPR2	P25090	1/20	0.37

▸	HSD11B1	P28845	1/20	0.37

▸	CCR5	P51681	2/20	0.36

▸	NR1D1	P20393	1/20	0.36

▸	L3MBTL1	Q9Y468	1/20	0.36

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
SCHEMBL8104660	0.89	POLB (0.42)	MCL1ALDH1A1LMNAMAPTUSP30
SCHEMBL8104667	0.89	POLB (0.42)	MCL1ALDH1A1LMNAMAPTUSP30
SCHEMBL8094828	0.88	ALDH1A1 (0.45)	ALDH1A1LMNAMAPTUSP30FPR3
SCHEMBL7450687	0.86	KMT2A (0.43)	ALDH1A1LMNAMAPTUSP30L3MBTL1
SCHEMBL7450693	0.86	KMT2A (0.43)	ALDH1A1LMNAMAPTUSP30L3MBTL1
SCHEMBL8110299	0.86	CTSK (0.44)	ALDH1A1LMNAMAPTUSP30FPR3
SCHEMBL8108799	0.85	CCR2 (0.34)	MCL1BCL2CCR5
SCHEMBL8435165	0.83	ALDH1A1 (0.43)	MCL1ALDH1A1LMNAMAPTUSP30
SCHEMBL8435168	0.83	ALDH1A1 (0.43)	MCL1ALDH1A1LMNAMAPTUSP30
SCHEMBL8094967	0.83	DPP4 (0.35)	ALDH1A1MAPTHSD11B1

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