SCHEMBL19003395

CC(C)CCC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)CN(CCC2CC2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CC2CC2)CC(=O)N[C@@H](CCCCN)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTGER2	P43116	2/20	0.61

▸	EGFR	P00533	2/20	0.58

▸	EPHA2	P29317	2/20	0.58

▸	NFKBIA	P25963	1/20	0.40

▸	AKT1	P31749	1/20	0.40

▸	SSTR2	P30874	6/20	0.32

▸	SSTR5	P35346	6/20	0.32

▸	SSTR3	P32745	1/20	0.32

▸	SSTR4	P31391	3/20	0.31

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
SCHEMBL23598434	0.96	PTGER2 (0.63)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003388	0.96	PTGER2 (0.63)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL24548694	0.96	PTGER2 (0.62)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL23598432	0.92	EGFR (0.59)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003328	0.91	PTGER2 (0.66)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003329	0.91	PTGER2 (0.66)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL24157885	0.90	PTGER2 (0.71)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003323	0.90	PTGER2 (0.71)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003414	0.90	PTGER2 (0.71)	PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003327	0.90	PTGER2 (0.71)	PTGER2EGFREPHA2NFKBIAAKT1

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
WO-2017106505-A1	GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF	UNIVERSITY OF SOUTH FLORIDA (US)	2017-06-22	—	—	WO	disclosed