SCHEMBL30432423

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

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	RXFP1	Q9HBX9	2/20	0.53

▸	GLP1R	P43220	4/20	0.52

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	1/20	0.52

▸	PTH1R	Q03431	2/20	0.52

▸	VIPR1	P32241	2/20	0.52

▸	ECE1	P42892	1/20	0.51

▸	MUS81	Q96NY9	1/20	0.51

▸	VIPR2	P41587	1/20	0.51

▸	NR3C1	P04150	2/20	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
SCHEMBL30432333	0.94	TFPI (0.58)	TFPIRXFP1GLP1RGCGRGIPR
SCHEMBL30437367	0.91	TFPI (0.56)	TFPIRXFP1GLP1RVIPR1VIPR2
SCHEMBL29623995	0.89	VIPR1 (0.61)	TFPIRXFP1GLP1RPTH1RVIPR1
SCHEMBL31182832	0.89	RXFP1 (0.61)	TFPIRXFP1GLP1RPTH1RVIPR1
SCHEMBL30974358	0.89	TFPI (0.57)	TFPIRXFP1VIPR1VIPR2
SCHEMBL30862319	0.88	RXFP1 (0.57)	TFPIRXFP1GLP1RPTH1RVIPR1
SCHEMBL29677393	0.88	RXFP1 (0.58)	TFPIRXFP1GLP1RPTH1RVIPR1
SCHEMBL29489379	0.88	GRIN2D (0.55)	TFPIRXFP1GLP1RGCGRGIPR
SCHEMBL30432511	0.88	TFPI (0.52)	TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30432294	0.88	TFPI (0.53)	TFPIRXFP1PTH1R

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