SCHEMBL31064746

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

nearest known ligand 0.60

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.60

▸	BACE1	P56817	8/20	0.52

▸	CTSD	P07339	1/20	0.52

▸	OPRL1	P41146	4/20	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
SCHEMBL30519276	0.90	TFPI (0.56)	TFPIBACE1CTSD
SCHEMBL30421823	0.89	TFPI (0.61)	TFPIBACE1CTSD
SCHEMBL20764456	0.88	TFPI (0.57)	TFPIBACE1OPRL1
SCHEMBL29973229	0.87	TFPI (0.67)	TFPIBACE1
SCHEMBL29622911	0.87	TFPI (0.62)	TFPIBACE1CTSDOPRL1
SCHEMBL29973137	0.86	TFPI (0.71)	TFPIOPRL1
SCHEMBL30588131	0.86	BACE1 (0.59)	TFPIBACE1CTSDOPRL1
SCHEMBL31064832	0.86	TFPI (0.51)	TFPIBACE1CTSD
SCHEMBL30544262	0.85	FOLH1 (0.53)	TFPI
SCHEMBL29666864	0.85	KISS1R (0.53)	BACE1

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
CN-118581102-A	Corn aspergillus flavus resistance gene ZmAFR, expression product, excellent haplotype and application thereof in corn breeding	河南农业大学	2024-09-03	—	—	CN	disclosed