SCHEMBL18359782

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)NCCCCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	SSTR2	P30874	17/20	0.58

▸	SSTR5	P35346	15/20	0.53

▸	SSTR3	P32745	14/20	0.53

▸	SSTR4	P31391	13/20	0.53

▸	SSTR1	P30872	10/20	0.53

▸	HDAC3	O15379	1/20	0.48

▸	HDAC4	P56524	1/20	0.48

▸	HDAC1	Q13547	1/20	0.48

▸	HDAC7	Q8WUI4	1/20	0.48

▸	HDAC2	Q92769	1/20	0.48

▸	HDAC10	Q969S8	1/20	0.48

▸	HDAC11	Q96DB2	1/20	0.48

▸	HDAC8	Q9BY41	1/20	0.48

▸	HDAC6	Q9UBN7	1/20	0.48

▸	HDAC9	Q9UKV0	1/20	0.48

▸	HDAC5	Q9UQL6	1/20	0.48

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
SCHEMBL19543819	0.98	SSTR2 (0.59)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL29897024	0.98	SSTR2 (0.59)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL17404627	0.98	SSTR2 (0.59)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL21099575	0.90	SSTR2 (0.55)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18712536	0.90	SSTR2 (0.56)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18712684	0.89	SSTR2 (0.54)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18712392	0.89	SSTR2 (0.54)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18712686	0.89	SSTR2 (0.54)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL22183409	0.89	SSTR2 (0.57)	SSTR2SSTR5SSTR3SSTR4SSTR1
SCHEMBL18712394	0.88	SSTR2 (0.54)	SSTR2SSTR5SSTR3SSTR4SSTR1

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-2017003940-A1	TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF	TARVEDA THERAPEUTICS, INC. (US)	2017-01-05	—	—	WO	disclosed