SCHEMBL30431813

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.65

▸	GLP1R	P43220	4/20	0.59

▸	GCGR	P47871	1/20	0.59

▸	GIPR	P48546	1/20	0.59

▸	VIPR1	P32241	1/20	0.56

▸	CCKBR	P32239	1/20	0.56

▸	RXFP1	Q9HBX9	2/20	0.56

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	1/20	0.56

▸	OPRM1	P35372	1/20	0.56

▸	OPRD1	P41143	1/20	0.56

▸	OPRK1	P41145	1/20	0.56

▸	NR3C1	P04150	2/20	0.54

▸	IL23R	Q5VWK5	1/20	0.54

▸	VIPR2	P41587	1/20	0.54

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
SCHEMBL29461387	0.91	TFPI (0.63)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30658242	0.91	TFPI (0.66)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30432341	0.90	GLP1R (0.63)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30432571	0.90	TFPI (0.67)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29640388	0.90	TFPI (0.65)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30350196	0.89	TFPI (0.60)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29403715	0.89	VIPR1 (0.72)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29701273	0.89	TFPI (0.74)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL31678895	0.89	TFPI (0.60)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30767165	0.88	TFPI (0.57)	TFPIGLP1RGCGRGIPRVIPR1

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