SCHEMBL29885541

CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC3	O15379	2/20	0.64

▸	HDAC4	P56524	2/20	0.64

▸	HDAC1	Q13547	2/20	0.64

▸	HDAC7	Q8WUI4	2/20	0.64

▸	HDAC2	Q92769	2/20	0.64

▸	HDAC10	Q969S8	2/20	0.64

▸	HDAC11	Q96DB2	2/20	0.64

▸	HDAC8	Q9BY41	2/20	0.64

▸	HDAC6	Q9UBN7	2/20	0.64

▸	HDAC9	Q9UKV0	2/20	0.64

▸	HDAC5	Q9UQL6	2/20	0.64

▸	PDCD1	Q15116	1/20	0.62

▸	CD274	Q9NZQ7	1/20	0.62

▸	PCSK9	Q8NBP7	1/20	0.58

▸	KLKB1	P03952	1/20	0.57

▸	NECTIN4	Q96NY8	3/20	0.57

▸	SSTR2	P30874	3/20	0.56

▸	SSTR5	P35346	3/20	0.56

▸	SSTR4	P31391	1/20	0.56

▸	KLK5	Q9Y337	2/20	0.56

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
Tyrocidine C SCHEMBL29489421	0.97	PCSK9 (0.62)	HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29884329	0.97	PCSK9 (0.62)	HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine B SCHEMBL29489414	0.97	PCSK9 (0.62)	HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine C SCHEMBL29489419	0.97	PCSK9 (0.62)	HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine C1 SCHEMBL29489410	0.95	PDCD1 (0.62)	HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine B1 SCHEMBL29489417	0.95	PDCD1 (0.62)	HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine B1 SCHEMBL29489416	0.95	PDCD1 (0.62)	HDAC3HDAC4HDAC1HDAC7HDAC2
Loloatin B SCHEMBL1231277	0.93	PDCD1 (0.66)	HDAC3HDAC4HDAC1HDAC7HDAC2
Loloatin C SCHEMBL6050512	0.93	PDCD1 (0.66)	HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine A SCHEMBL14399288	0.89	HDAC4 (0.55)	HDAC4PDCD1CD274PCSK9KLK5

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-11421223-B2	Processes and host cells for genome, pathway, and biomolecular engineering	ENEVOLV, INC. (US)	2022-08-23	—	—	US	disclosed