SCHEMBL8892974

CC(O)CCC[C@H](C)[C@@H](C(=O)CC(O)C(=O)OC(C)(C)C)N(C)C(=O)[C@H]([C@@H](C)CCCC(C)O)N(C)C(=O)[C@H](C)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ABCB1	P08183	2/20	0.37

▸	POLB	P06746	1/20	0.33

▸	CTSL	P07711	1/20	0.33

▸	CTSB	P07858	1/20	0.33

▸	CTSS	P25774	1/20	0.33

▸	CTSK	P43235	1/20	0.33

▸	SYK	P43405	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	MAPT	P10636	1/20	0.31

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
SCHEMBL8714486	0.92	ABCB1 (0.38)	ABCB1POLBCTSLCTSBCTSS
SCHEMBL8893949	0.92	ABCB1 (0.38)	ABCB1POLBCTSLCTSBCTSS
SCHEMBL8893928	0.90	ABCB1 (0.40)	ABCB1POLBCTSLCTSBCTSS
SCHEMBL8893220	0.88	ALDH1A1 (0.33)	POLBCTSLCTSBCTSSL3MBTL1
SCHEMBL8896038	0.86	ALDH1A1 (0.34)	POLBCTSLCTSBCTSSL3MBTL1
SCHEMBL8707727	0.82	ABCB1 (0.41)	ABCB1POLBCTSLCTSBCTSS
SCHEMBL8894248	0.82	ALDH1A1 (0.32)	POLBCTSKSYKL3MBTL1
SCHEMBL9068144	0.79	ABCB1 (0.37)	ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8708607	0.79	ABCB1 (0.37)	ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8713576	0.76	CTSK (0.49)	ABCB1POLBCTSLCTSBCTSS

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
US-5624897-A	PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE	BAYER AKTIENGESELLSCHAFT (DE)	1997-04-29	—	—	US	disclosed