SCHEMBL31027109

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.64

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	KDM1A	O60341	3/20	0.53

▸	VIPR2	P41587	3/20	0.52

▸	VIPR1	P32241	2/20	0.52

▸	PTH1R	Q03431	2/20	0.51

▸	CALCRL	Q16602	1/20	0.51

▸	OPRM1	P35372	1/20	0.51

▸	OPRD1	P41143	1/20	0.51

▸	TFPI	P10646	1/20	0.50

▸	MAOB	P27338	1/20	0.50

▸	KDM5A	P29375	1/20	0.50

▸	KDM1B	Q8NB78	1/20	0.50

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
SCHEMBL30726561	0.95	KEAP1 (0.68)	KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL30906548	0.92	KEAP1 (0.72)	KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL30906421	0.91	KEAP1 (0.68)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30432166	0.91	KEAP1 (0.65)	KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL30906522	0.91	MAPK8 (0.67)	KEAP1MAPK8MAPK9MAPK10VIPR2
SCHEMBL30906440	0.90	KEAP1 (0.68)	KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL31000892	0.88	KEAP1 (0.61)	KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL30906363	0.87	KEAP1 (0.65)	KEAP1MAPK8MAPK9MAPK10VIPR2
SCHEMBL30906447	0.87	KEAP1 (0.66)	KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL31455209	0.86	KEAP1 (0.59)	KEAP1MAPK8MAPK9MAPK10KDM1A

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-20240182599-A1	ANTI-IGE ANTIBODIES	ABWIZ BIO, INC.	2024-06-06	—	—	US	disclosed