SCHEMBL29604026

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N(Cc1ccccc1)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	FAAH	O00519	4/20	0.48

▸	PSMB5	P28074	5/20	0.44

▸	CTSD	P07339	1/20	0.41

▸	EPHX2	P34913	2/20	0.41

▸	CNR1	P21554	1/20	0.40

▸	CNR2	P34972	1/20	0.40

▸	MMP2	P08253	1/20	0.39

▸	SLC6A5	Q9Y345	2/20	0.39

▸	MME	P08473	1/20	0.38

▸	ACE	P12821	1/20	0.38

▸	CPA1	P15085	1/20	0.38

▸	ACE2	Q9BYF1	1/20	0.38

▸	CTSB	P07858	1/20	0.38

▸	CTSK	P43235	1/20	0.38

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
SCHEMBL29603831	0.86	FAAH (0.50)	FAAHPSMB5CTSDEPHX2MMP2
SCHEMBL28559874	0.86	FAAH (0.50)	FAAHPSMB5CTSDEPHX2MMP2
SCHEMBL28517814	0.81	CTSD (0.53)	FAAHPSMB5CTSDMMP2MME
SCHEMBL29535660	0.81	CTSD (0.53)	FAAHPSMB5CTSDMMP2MME
SCHEMBL28560400	0.81	CTSD (0.53)	FAAHPSMB5CTSDMMP2MME
SCHEMBL28563734	0.81	CTSD (0.53)	FAAHPSMB5CTSDMMP2MME
SCHEMBL28563172	0.80	CTSB (0.55)	FAAHPSMB5CTSDEPHX2MMP2
SCHEMBL29603823	0.80	CTSB (0.55)	FAAHPSMB5CTSDEPHX2MMP2
SCHEMBL28559878	0.78	FAAH (0.47)	FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL4392116	0.76	FAAH (0.70)	FAAHPSMB5EPHX2CNR1CNR2

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-112812149-B	Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof	首都医科大学	2022-04-29	—	—	CN	disclosed