SCHEMBL10694201

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.60

▸	CTSD	P07339	1/20	0.55

▸	TFPI	P10646	1/20	0.54

▸	VIPR2	P41587	2/20	0.53

▸	VIPR1	P32241	1/20	0.53

▸	BACE2	Q9Y5Z0	1/20	0.53

▸	GLP1R	P43220	2/20	0.52

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
SCHEMBL30277899	0.92	BACE1 (0.62)	BACE1CTSDTFPIVIPR2VIPR1
SCHEMBL29815608	0.90	TFPI (0.61)	TFPIVIPR2VIPR1GLP1R
SCHEMBL30105973	0.90	OPRL1 (0.61)	TFPIGLP1R
SCHEMBL30495833	0.90	OPRL1 (0.58)	BACE1TFPIVIPR2VIPR1GLP1R
SCHEMBL29416071	0.89	BACE1 (0.58)	BACE1TFPIVIPR1GLP1R
SCHEMBL29410012	0.89	BACE1 (0.58)	BACE1VIPR2VIPR1GLP1R
SCHEMBL31688322	0.89	VIPR2 (0.57)	BACE1TFPIVIPR2VIPR1GLP1R
SCHEMBL31603940	0.89	BACE1 (0.66)	BACE1VIPR2VIPR1GLP1R
SCHEMBL30719871	0.88	BACE1 (0.53)	BACE1GLP1R
SCHEMBL31182868	0.88	VIPR2 (0.61)	BACE1TFPIVIPR2VIPR1GLP1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0255377-A2	Acyl carrier protein- DNA sequence and synthesis	CALGENE, INC. (US)	1988-02-03	—	—	EP	disclosed