SCHEMBL9879558

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	3/20	0.51

▸	GRPR	P30550	3/20	0.49

▸	IL1RN	P18510	8/20	0.48

▸	ERAP2	Q6P179	7/20	0.48

▸	ERAP1	Q9NZ08	5/20	0.48

▸	TP53	P04637	2/20	0.48

▸	MAPT	P10636	2/20	0.48

▸	SMN1; SMN2	Q16637	1/20	0.48

▸	CTSB	P07858	2/20	0.46

▸	CTSK	P43235	2/20	0.46

▸	LMNA	P02545	1/20	0.44

▸	THRB	P10828	1/20	0.44

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
SCHEMBL9331228	0.93	REN (0.53)	RENGRPRIL1RNERAP2ERAP1
SCHEMBL9878964	0.92	REN (0.51)	RENGRPRIL1RNERAP2ERAP1
SCHEMBL9331072	0.90	REN (0.54)	RENGRPRIL1RNERAP2ERAP1
SCHEMBL9331193	0.88	REN (0.55)	RENGRPRERAP2ERAP1CTSB
SCHEMBL9331664	0.85	MMP2 (0.53)	RENGRPR
SCHEMBL9334625	0.82	MMP2 (0.55)	RENGRPR
SCHEMBL9879381	0.80	MMP2 (0.51)	RENGRPRCTSBCTSK
SCHEMBL10005187	0.79	GRPR (0.53)	GRPRIL1RNERAP2ERAP1CTSB
SCHEMBL11228028	0.79	TACR1 (0.56)	RENTP53MAPTSMN1; SMN2CTSK
SCHEMBL11228026	0.79	TACR1 (0.56)	RENTP53MAPTSMN1; SMN2CTSK

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-5068222-A	Polypeptides for treatment of cancer	IMPERIAL CHEMICAL INDUSTRIES PLC (GB)	1991-11-26	—	—	US	disclosed