SCHEMBL30432333

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

nearest known ligand 0.58

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.58

▸	GLP1R	P43220	1/20	0.50

▸	GCGR	P47871	1/20	0.50

▸	GIPR	P48546	1/20	0.50

▸	VIPR1	P32241	3/20	0.50

▸	GRIN2D	O15399	1/20	0.50

▸	GRIN3B	O60391	1/20	0.50

▸	GRIN1	Q05586	1/20	0.50

▸	GRIN2A	Q12879	1/20	0.50

▸	GRIN2B	Q13224	1/20	0.50

▸	GRIN2C	Q14957	1/20	0.50

▸	GRIN3A	Q8TCU5	1/20	0.50

▸	RXFP1	Q9HBX9	2/20	0.49

▸	VIPR2	P41587	4/20	0.48

▸	NPY1R	P25929	1/20	0.46

▸	NPY2R	P49146	1/20	0.46

▸	NPY4R	P50391	1/20	0.46

▸	NPY5R	Q15761	1/20	0.46

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
SCHEMBL30432423	0.94	TFPI (0.61)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29489379	0.93	GRIN2D (0.55)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29695589	0.91	TFPI (0.50)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29489382	0.90	GRIN2D (0.59)	TFPIVIPR1GRIN2DGRIN3BGRIN1
SCHEMBL30662321	0.89	TFPI (0.50)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30930537	0.89	TFPI (0.47)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30567430	0.89	TFPI (0.60)	TFPIVIPR1GRIN2DGRIN3BGRIN1
SCHEMBL30662325	0.88	VIPR1 (0.58)	TFPIVIPR1GRIN2DGRIN3BGRIN1
SCHEMBL31665989	0.88	TFPI (0.49)	TFPIGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30432795	0.88	GRIN2D (0.57)	TFPIVIPR1GRIN2DGRIN3BGRIN1

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