SCHEMBL31401835

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

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.65

▸	MAPK8	P45983	1/20	0.64

▸	MAPK9	P45984	1/20	0.64

▸	MAPK10	P53779	1/20	0.64

▸	PTH1R	Q03431	2/20	0.53

▸	NMUR2	Q9GZQ4	3/20	0.50

▸	NMUR1	Q9HB89	3/20	0.50

▸	VIPR1	P32241	1/20	0.50

▸	VIPR2	P41587	1/20	0.50

▸	KDM1A	O60341	1/20	0.50

▸	GLP1R	P43220	2/20	0.49

▸	TFPI	P10646	1/20	0.49

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
SCHEMBL30625038	0.96	KEAP1 (0.62)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL29376487	0.96	KEAP1 (0.62)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL29374226	0.94	KEAP1 (0.59)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30906548	0.93	KEAP1 (0.72)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL29376375	0.92	KEAP1 (0.60)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30624804	0.92	MAPK8 (0.58)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30625028	0.92	MAPK8 (0.58)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL29679527	0.92	MAPK8 (0.66)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30906447	0.92	KEAP1 (0.66)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL31688328	0.92	TFPI (0.59)	KEAP1MAPK8MAPK9MAPK10NMUR2

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
CN-113286612-B	Humanized antibodies against IGF-I receptor	帝人制药株式会社	2024-12-24	—	—	CN	disclosed