SCHEMBL2492378

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N(CC(=O)O)C(=O)c1ccco1.N[C@@H](CC1CCCCC1)C(=O)NCC(=O)NCC(=O)OC(=O)c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	2/20	0.37

▸	CTSL	P07711	1/20	0.37

▸	CTSK	P43235	1/20	0.37

▸	ALDH1A1	P00352	4/20	0.35

▸	HPGD	P15428	2/20	0.35

▸	GAA	P10253	1/20	0.35

▸	POLB	P06746	1/20	0.35

▸	MEN1	O00255	1/20	0.34

▸	TSHR	P16473	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	NPSR1	Q6W5P4	1/20	0.34

▸	TDP1	Q9NUW8	2/20	0.33

▸	KDM4E	B2RXH2	1/20	0.33

▸	KLKB1	P03952	1/20	0.33

▸	TP53	P04637	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

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
SCHEMBL266063	0.89	CTSS (0.43)	CTSSCTSLCTSKALDH1A1HPGD
SCHEMBL1449614	0.75	TDP1 (0.52)	CTSSALDH1A1HPGDTSHRKMT2A
SCHEMBL5574185	0.74	HPGD (0.40)	CTSSALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1449034	0.74	CTSL (0.47)	CTSSCTSLCTSKALDH1A1HPGD
SCHEMBL5573504	0.73	METAP2 (0.34)	CTSSCTSLCTSK
SCHEMBL1450242	0.72	MMP1 (0.39)	CTSSCTSLCTSK
SCHEMBL1449532	0.72	AAK1 (0.35)	CTSSCTSLCTSKTDP1
SCHEMBL1449065	0.72	AAK1 (0.37)	CTSSPOLBMEN1KMT2ATDP1
SCHEMBL1449052	0.72	ALDH1A1 (0.44)	ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL265605	0.71	CCR5 (0.39)	MEN1TSHRKMT2ATDP1TP53

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-1864994-B1	PAR-2 AGONIST	KOWA CO (JP)	2011-10-26	—	—	EP	disclosed