SCHEMBL20230256

CC(=O)N[C@@H](C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)NCCOCC(=O)N[C@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)NCCOCC(=O)N[C@@H](C(=O)NCC(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](C)O)[C@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	WDR5	P61964	1/20	0.56

▸	FOLH1	Q04609	3/20	0.54

▸	ALB	P02768	6/20	0.50

▸	KLK7	P49862	3/20	0.48

▸	HTRA2	O43464	5/20	0.47

▸	HTRA1	Q92743	5/20	0.47

▸	MDM2	Q00987	1/20	0.47

▸	KLK5	Q9Y337	2/20	0.46

▸	SYK	P43405	1/20	0.45

▸	TERF2IP	Q9NYB0	1/20	0.43

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
SCHEMBL21766767	0.89	WDR5 (0.60)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL21766490	0.86	WDR5 (0.58)	WDR5FOLH1ALBHTRA2HTRA1
SCHEMBL21766810	0.86	WDR5 (0.56)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL21766808	0.85	WDR5 (0.56)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL21766707	0.85	WDR5 (0.56)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL26368581	0.85	WDR5 (0.57)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL20230311	0.85	WDR5 (0.57)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL21766481	0.85	WDR5 (0.56)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL21766811	0.85	WDR5 (0.56)	WDR5FOLH1ALBKLK7HTRA2
SCHEMBL20230257	0.84	WDR5 (0.56)	WDR5FOLH1ALBKLK7HTRA2

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
WO-2018102762-A1	NERVE LABELING COMPOSITIONS AND USES THEREOF	AVELAS BIOSCIENCES, INC. (US)	2018-06-07	—	—	WO	disclosed