SCHEMBL29742976

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.63

▸	MAPK9	P45984	1/20	0.63

▸	MAPK10	P53779	1/20	0.63

▸	KEAP1	Q14145	1/20	0.60

▸	BECN1	Q14457	4/20	0.57

▸	NPY2R	P49146	6/20	0.54

▸	NPY4R	P50391	6/20	0.54

▸	NPY5R	Q15761	6/20	0.54

▸	NPY1R	P25929	4/20	0.54

▸	RAMP3	O60896	1/20	0.54

▸	CALCR	P30988	1/20	0.54

▸	GLP1R	P43220	3/20	0.53

▸	VIPR1	P32241	1/20	0.53

▸	VIPR2	P41587	1/20	0.53

▸	TFPI	P10646	1/20	0.53

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
SCHEMBL30906522	0.90	MAPK8 (0.67)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL30618035	0.89	MAPK8 (0.61)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL30618032	0.89	CALCR (0.59)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL29518445	0.88	KEAP1 (0.53)	MAPK8MAPK9MAPK10KEAP1
SCHEMBL30618030	0.88	MAPK8 (0.61)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL29679527	0.88	MAPK8 (0.66)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL30726561	0.88	KEAP1 (0.68)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL30436402	0.87	KEAP1 (0.55)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL30906363	0.87	KEAP1 (0.65)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL30437130	0.87	MAPK8 (0.65)	MAPK8MAPK9MAPK10KEAP1NPY2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11851664-B2	Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby	Oakbio, Inc. (US)	2023-12-26	—	—	US	disclosed
US-20220204979-A1	METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY	ARCOLOGY INC. (DBA BIOSPHERE)	2022-06-30	—	—	US	disclosed