SCHEMBL9694637

N[C@@H](CC1CCCCC1)[C@@H](O[C@@H]([C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1)[C@@H](N)CC1CCCCC1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	2/20	0.39

▸	METAP2	P50579	1/20	0.39

▸	METAP1	P53582	1/20	0.39

▸	CTSS	P25774	10/20	0.38

▸	CTSL	P07711	3/20	0.36

▸	CTSB	P07858	2/20	0.36

▸	POLB	P06746	1/20	0.34

▸	LNPEP	Q9UIQ6	1/20	0.34

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
SCHEMBL9506681	0.88	METAP2 (0.43)	TACR1METAP2METAP1CTSSCTSL
SCHEMBL9504651	0.88	METAP2 (0.43)	TACR1METAP2METAP1CTSSCTSL
SCHEMBL9506657	0.79	POLB (0.38)	TACR1CTSSCTSLCTSBPOLB
SCHEMBL9518173	0.77	METAP2 (0.47)	METAP2METAP1CTSSCTSLCTSB
SCHEMBL9518165	0.77	METAP2 (0.47)	METAP2METAP1CTSSCTSLCTSB
SCHEMBL9506639	0.76	CA1 (0.40)	CTSSCTSLCTSBPOLBLNPEP
SCHEMBL9505567	0.74	POLB (0.38)	TACR1METAP2POLBLNPEP
SCHEMBL8116438	0.71	CA1 (0.55)	CTSSCTSLCTSBPOLB
SCHEMBL8116441	0.71	CA1 (0.55)	CTSSCTSLCTSBPOLB
Hydrochloric Acid SCHEMBL9516061	0.71	METAP2 (0.49)	METAP2METAP1CTSSCTSLCTSB

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-1992003472-A1	PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS	THE UPJOHN COMPANY (US)	1992-03-05	—	—	WO	disclosed