SCHEMBL30432155

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.75

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.64

▸	MAPK8	P45983	1/20	0.63

▸	MAPK9	P45984	1/20	0.63

▸	MAPK10	P53779	1/20	0.63

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	GLP1R	P43220	2/20	0.59

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	KEAP1	Q14145	1/20	0.58

▸	NMUR2	Q9GZQ4	1/20	0.57

▸	NMUR1	Q9HB89	1/20	0.57

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
SCHEMBL30578734	0.91	CALCR (0.73)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30658292	0.91	CALCR (0.71)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30999376	0.90	CALCR (0.68)	CALCRGLP1RNPY2RNPY4RNPY5R
Motilin SCHEMBL29580303	0.90	CALCR (0.64)	CALCREP300HIF1AGLP1RNPY2R
SCHEMBL31183013	0.90	NPY2R (0.64)	CALCREP300HIF1AGLP1RNPY2R
SCHEMBL30887563	0.90	CALCR (0.68)	CALCREP300HIF1AGLP1RNPY2R
SCHEMBL30578729	0.90	CALCR (0.73)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30578733	0.90	CALCR (0.73)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL29530680	0.89	CALCR (0.67)	CALCRMAPK8MAPK9MAPK10EP300
SCHEMBL29523674	0.88	CALCR (0.70)	CALCRGLP1RNPY2RNPY4RNPY5R

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