SCHEMBL8104543

CN(C(=O)CC(O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	8/20	0.41

▸	ALDH1A1	P00352	3/20	0.36

▸	LMNA	P02545	1/20	0.36

▸	MAPT	P10636	1/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	KMT2A	Q03164	2/20	0.35

▸	SIGMAR1	Q99720	1/20	0.35

▸	GAA	P10253	1/20	0.35

▸	KDM4E	B2RXH2	1/20	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
SCHEMBL8110554	0.91	CCR5 (0.46)	CCR5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8542201	0.89	CCR5 (0.38)	CCR5
SCHEMBL8095156	0.89	CCR5 (0.38)	CCR5
SCHEMBL8110594	0.89	CCR5 (0.38)	CCR5
SCHEMBL8108693	0.89	CCR5 (0.38)	CCR5
SCHEMBL8541612	0.83	ALDH1A1 (0.39)	CCR5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8095227	0.83	HSD11B1 (0.40)	CCR5ALDH1A1SIGMAR1
SCHEMBL8095063	0.83	HSD11B1 (0.40)	CCR5ALDH1A1SIGMAR1
SCHEMBL8102746	0.82	KMT2A (0.45)	ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8104461	0.82	KMT2A (0.45)	ALDH1A1LMNAMAPTSMN1; SMN2KMT2A

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