SCHEMBL19003386

NCCCC[C@H]1CN(C(O)CCc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CC2CC2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(C(=O)CC2CC2)CC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PTGER2	P43116	2/20	0.53

▸	EGFR	P00533	2/20	0.51

▸	EPHA2	P29317	2/20	0.50

▸	SSTR5	P35346	12/20	0.40

▸	SSTR2	P30874	10/20	0.40

▸	SSTR3	P32745	6/20	0.39

▸	SSTR4	P31391	9/20	0.39

▸	NFKBIA	P25963	1/20	0.37

▸	AKT1	P31749	1/20	0.37

▸	SSTR1	P30872	2/20	0.36

▸	OXTR	P30559	1/20	0.35

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
SCHEMBL24158008	0.95	PTGER2 (0.56)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL24158191	0.94	EPHA2 (0.53)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL19003394	0.94	PTGER2 (0.58)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL23598429	0.93	EGFR (0.58)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL19003384	0.93	EGFR (0.58)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL23598433	0.93	PTGER2 (0.58)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL19003385	0.92	EPHA2 (0.57)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL23598624	0.92	EPHA2 (0.56)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL19003383	0.91	PTGER2 (0.57)	PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL24157890	0.89	PTGER2 (0.55)	PTGER2EGFREPHA2SSTR5SSTR2

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