SCHEMBL7966455

CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)CCC(C)S)C(=O)N(C)[C@@H](CC(C)CCC(S)Cc1ccc(OCc2ccco2)cc1)C(=O)N(C)[C@@H](CC(C)CCC(C)S)C(=O)[CH]C(S)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ACACB	O00763	1/20	0.37

▸	IL1RN	P18510	2/20	0.34

▸	ERAP2	Q6P179	2/20	0.34

▸	ERAP1	Q9NZ08	2/20	0.34

▸	UTS2R	Q9UKP6	1/20	0.32

▸	MME	P08473	1/20	0.31

▸	ACE	P12821	1/20	0.31

▸	CPA1	P15085	1/20	0.31

▸	ACE2	Q9BYF1	1/20	0.31

▸	MAOB	P27338	2/20	0.31

▸	PSMB1	P20618	1/20	0.31

▸	PSMB5	P28074	1/20	0.31

▸	PSMB2	P49721	1/20	0.31

▸	ALDH1A1	P00352	1/20	0.31

▸	POLB	P06746	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
SCHEMBL8133694	0.79	ACACB (0.39)	ACACBMMEACECPA1ACE2
SCHEMBL8129676	0.77	ACACB (0.38)	ACACBIL1RNERAP2ERAP1UTS2R
SCHEMBL7966713	0.73	ACACB (0.32)	ACACB
SCHEMBL8125526	0.70	ACACB (0.36)	ACACB
SCHEMBL7475849	0.69	BACE1 (0.37)	MMEACEPSMB5
SCHEMBL8140743	0.69	ACACB (0.38)	ACACB
SCHEMBL9101106	0.65	ACE (0.37)	MMEACE
SCHEMBL7756031	0.65	MAOB (0.43)	ACACBMAOBALDH1A1
SCHEMBL7561050	0.63	MME (0.33)	MMEACE
SCHEMBL7373476	0.59	PSMB1 (0.46)	ACACBIL1RNERAP2ERAP1MME

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-6265537-B1	CYCLIC COMPOUNDS; NEMATOCIDES FOR HUMANS AND ANIMALS	BAYER AKTIENGESELLSCHAFT (DE)	2001-07-24	—	—	US	disclosed