SCHEMBL7003427

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(C(=O)c5cccs5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RAB9A	P51151	1/20	0.36

▸	PLCG1	P19174	1/20	0.34

▸	ELANE	P08246	5/20	0.33

▸	L3MBTL1	Q9Y468	3/20	0.33

▸	HTR2A	P28223	1/20	0.31

▸	MEN1	O00255	2/20	0.31

▸	ALDH1A1	P00352	2/20	0.31

▸	KMT2A	Q03164	2/20	0.31

▸	POLB	P06746	1/20	0.30

▸	SMN1; SMN2	Q16637	1/20	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
SCHEMBL7722352	0.90	PLCG1 (0.38)	RAB9APLCG1ELANEL3MBTL1HTR2A
SCHEMBL7041829	0.90	PLCG1 (0.35)	PLCG1ELANEL3MBTL1HTR2APOLB
SCHEMBL7728957	0.90	PLCG1 (0.37)	PLCG1ELANEL3MBTL1HTR2APOLB
SCHEMBL7730458	0.89	PLCG1 (0.35)	RAB9APLCG1ELANEL3MBTL1HTR2A
SCHEMBL7728647	0.89	ELANE (0.36)	PLCG1ELANEL3MBTL1HTR2APOLB
SCHEMBL7730230	0.89	PLCG1 (0.35)	RAB9APLCG1ELANEL3MBTL1HTR2A
SCHEMBL7722446	0.89	ELANE (0.36)	PLCG1ELANEL3MBTL1HTR2APOLB
SCHEMBL7631759	0.88	PLCG1 (0.36)	PLCG1ELANEL3MBTL1HTR2APOLB
SCHEMBL7722351	0.88	PLCG1 (0.34)	PLCG1ELANEL3MBTL1HTR2APOLB
SCHEMBL7630879	0.88	PLCG1 (0.34)	PLCG1ELANEL3MBTL1HTR2AALDH1A1

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-1336612-A1	NOVEL CARBAPENEM DERIVATIVES	MEIJI SEIKA KAISHA LTD. (JP)	2003-08-20	—	—	EP	disclosed