SCHEMBL18033736

CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)COCCOCCNC(=O)[C@@H](N)CC)C(C)O)COC(=O)[C@H](CCSC)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KCNA3	P22001	1/20	0.44

▸	KCNA1	Q09470	1/20	0.44

▸	NPR1	P16066	1/20	0.43

▸	NPR3	P17342	1/20	0.43

▸	MDM2	Q00987	5/20	0.41

▸	KLK7	P49862	1/20	0.40

▸	BCL2L1	Q07817	1/20	0.40

▸	BAD	Q92934	1/20	0.40

▸	IL23R	Q5VWK5	4/20	0.39

▸	OXTR	P30559	1/20	0.39

▸	EPHA2	P29317	1/20	0.38

▸	OPRD1	P41143	4/20	0.38

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
SCHEMBL13029975	0.97	KCNA3 (0.44)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL13029970	0.94	MDM2 (0.41)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL13029983	0.90	MDM2 (0.42)	MDM2KLK7IL23ROPRD1
SCHEMBL18516867	0.88	SSTR1 (0.40)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL13030005	0.87	MDM2 (0.43)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL18516888	0.85	MDM2 (0.41)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL13030017	0.84	MDM2 (0.42)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL13030021	0.84	MDM2 (0.41)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL18516885	0.82	MDM2 (0.42)	KCNA3KCNA1NPR1NPR3MDM2
SCHEMBL13029977	0.81	MDM2 (0.40)	KCNA3KCNA1MDM2KLK7OPRD1

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-2842565-B1	Antibody-mediated disruption of quorum sensing in bacteria	SCRIPPS RESEARCH INST (US)	2016-08-24	—	—	EP	disclosed