SCHEMBL7722355

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(S(=O)(=O)N(C)CCO)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 5)

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

▸	PLCG1	P19174	1/20	0.32

▸	ELANE	P08246	2/20	0.31

▸	HTR2A	P28223	1/20	0.30

▸	CCR5	P51681	2/20	0.30

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
SCHEMBL7722496	0.93	ALDH1A1 (0.40)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7727973	0.92	ALDH1A1 (0.36)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7728009	0.91	ALDH1A1 (0.32)	ALDH1A1
SCHEMBL7732306	0.90	PLCG1 (0.35)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7731948	0.89	PLCG1 (0.34)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7729532	0.89	ELANE (0.35)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7727955	0.88	PLCG1 (0.34)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7636272	0.87	PLCG1 (0.35)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7729895	0.87	PLCG1 (0.34)	ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7728957	0.86	PLCG1 (0.37)	PLCG1ELANEHTR2A

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-6458780-B1	IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND	MEIJI SEIKA KAISHA, LTD. (JP)	2002-10-01	—	—	US	disclosed