SCHEMBL30432166

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

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.65

▸	KDM1A	O60341	3/20	0.61

▸	PTH1R	Q03431	3/20	0.61

▸	TFPI	P10646	1/20	0.61

▸	VIPR2	P41587	3/20	0.59

▸	VIPR1	P32241	2/20	0.59

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	1/20	0.58

▸	GLP1R	P43220	3/20	0.57

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	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
SCHEMBL31000892	0.95	KEAP1 (0.61)	KEAP1KDM1APTH1RTFPIVIPR2
SCHEMBL30906440	0.93	KEAP1 (0.68)	KEAP1KDM1APTH1RTFPIVIPR2
SCHEMBL30906548	0.92	KEAP1 (0.72)	KEAP1KDM1APTH1RVIPR2VIPR1
SCHEMBL31455209	0.92	KEAP1 (0.59)	KEAP1KDM1APTH1RTFPIVIPR2
SCHEMBL30906447	0.92	KEAP1 (0.66)	KEAP1KDM1APTH1RTFPIVIPR2
SCHEMBL31027109	0.91	KEAP1 (0.64)	KEAP1KDM1APTH1RTFPIVIPR2
SCHEMBL31688328	0.90	TFPI (0.59)	KEAP1KDM1ATFPIVIPR2VIPR1
SCHEMBL30262135	0.90	KDM1A (0.63)	KEAP1KDM1ATFPIVIPR2VIPR1
SCHEMBL29679527	0.90	MAPK8 (0.66)	KEAP1PTH1RTFPIVIPR2VIPR1
SCHEMBL30726561	0.89	KEAP1 (0.68)	KEAP1KDM1APTH1RVIPR2VIPR1

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-20240342111-A1	ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL	UNIV SOUTH CAROLINA (US)	2024-10-17	—	—	US	disclosed
US-20230201133-A1	Isomer-Specific Neuroprotective Effect of Natural Resveratrol	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-29	—	—	US	disclosed