SCHEMBL30432497

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

nearest known ligand 0.70

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	3/20	0.70

▸	NPY5R	Q15761	4/20	0.56

▸	NPY1R	P25929	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NMUR2	Q9GZQ4	1/20	0.55

▸	NMUR1	Q9HB89	1/20	0.55

▸	VIPR1	P32241	2/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	VIPR2	P41587	1/20	0.53

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
SCHEMBL13540749	0.90	TFPI (0.63)	TFPINPY5RNPY1RNPY4RNMUR2
SCHEMBL29388572	0.90	TFPI (0.63)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL31519352	0.90	NPY4R (0.61)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL30463855	0.90	VIPR1 (0.66)	TFPINPY5RNPY1RNPY4RVIPR1
SCHEMBL30449457	0.88	TFPI (0.68)	TFPINPY5RNPY1RNPY4RNMUR2
SCHEMBL31182584	0.88	TFPI (0.66)	TFPIVIPR1VIPR2
SCHEMBL13540731	0.88	TFPI (0.60)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL31301705	0.88	TFPI (0.58)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL13540717	0.88	TFPI (0.60)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL14822778	0.87	TFPI (0.60)	TFPINPY5RNPY1RNPY4RNMUR2

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