SCHEMBL18672489

CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1	P03372	11/20	0.52

▸	ESR2	Q92731	5/20	0.50

▸	SLC15A2	Q16348	1/20	0.50

▸	REN	P00797	2/20	0.47

▸	CCNA2	P20248	2/20	0.43

▸	CDK2	P24941	2/20	0.43

▸	CCNA1	P78396	2/20	0.43

▸	NPY2R	P49146	2/20	0.43

▸	GHSR	Q92847	2/20	0.43

▸	ACE2	Q9BYF1	1/20	0.42

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
SCHEMBL15185869	0.80	SLC15A2 (0.56)	ESR1ESR2SLC15A2RENCCNA2
SCHEMBL15185930	0.79	GRPR (0.50)	SLC15A2
SCHEMBL15186059	0.78	SLC15A2 (0.55)	ESR1SLC15A2RENCCNA2CDK2
SCHEMBL15186031	0.78	SLC15A2 (0.55)	ESR1SLC15A2RENCCNA2CDK2
SCHEMBL15185951	0.78	SLC15A2 (0.55)	ESR1SLC15A2RENCCNA2CDK2
SCHEMBL26403878	0.76	GRPR (0.43)	ESR1ESR2SLC15A2
SCHEMBL18862078	0.76	SLC15A2 (0.56)	SLC15A2RENCCNA2CDK2CCNA1
SCHEMBL15185947	0.75	GHSR (0.55)	NPY2RGHSR
SCHEMBL26403817	0.74	MMP3 (0.42)	ESR1ESR2SLC15A2REN
SCHEMBL15182383	0.74	CXCR4 (0.54)	—

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-9605296-B2	Fluorogenic peptidase substrate	ECOLE NORMALE SUPERIEURE DE LYON (FR)	2017-03-28	—	—	US	disclosed