SCHEMBL30431858

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.61

▸	TFPI	P10646	6/20	0.59

▸	GLP1R	P43220	3/20	0.57

▸	GCGR	P47871	3/20	0.57

▸	C5AR1	P21730	1/20	0.57

▸	CALCR	P30988	4/20	0.56

▸	RAMP1	O60894	1/20	0.56

▸	RAMP2	O60895	1/20	0.56

▸	RAMP3	O60896	1/20	0.56

▸	CALCRL	Q16602	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
SCHEMBL29798261	0.88	C5AR1 (0.60)	APLNRTFPIGLP1RGCGRC5AR1
SCHEMBL29526390	0.88	APLNR (0.64)	APLNRTFPIC5AR1
SCHEMBL31255131	0.88	MC4R (0.64)	APLNRTFPIGLP1RGCGRC5AR1
SCHEMBL29798188	0.87	C5AR1 (0.60)	TFPIGLP1RGCGRC5AR1CALCR
SCHEMBL30429454	0.87	CALCR (0.62)	APLNRGLP1RGCGRCALCRRAMP1
SCHEMBL30431782	0.87	CALCR (0.65)	APLNRCALCRRAMP3
SCHEMBL30262233	0.87	CALCR (0.64)	TFPIGLP1RCALCR
SCHEMBL30859188	0.87	CALCR (0.63)	APLNRGLP1RGCGRC5AR1CALCR
SCHEMBL31182896	0.87	CALCR (0.66)	TFPIGLP1RGCGRCALCR
SCHEMBL29797992	0.86	C5AR1 (0.58)	APLNRTFPIC5AR1CALCR

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