SCHEMBL29603823

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	3/20	0.55

▸	CTSK	P43235	3/20	0.55

▸	CTSD	P07339	2/20	0.53

▸	CASP3	P42574	1/20	0.48

▸	FAAH	O00519	3/20	0.47

▸	PSMB5	P28074	3/20	0.47

▸	MMP2	P08253	1/20	0.45

▸	REN	P00797	1/20	0.43

▸	CAPN1	P07384	1/20	0.43

▸	CAPN2	P17655	1/20	0.43

▸	LPAR1	Q92633	1/20	0.42

▸	EPHX2	P34913	1/20	0.42

▸	KISS1R	Q969F8	1/20	0.42

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
SCHEMBL28563172	1.00	CTSB (0.55)	CTSBCTSKCTSDCASP3FAAH
SCHEMBL28523691	0.96	CTSB (0.59)	CTSBCTSKCTSDCASP3PSMB5
SCHEMBL29535481	0.96	CTSB (0.59)	CTSBCTSKCTSDCASP3PSMB5
SCHEMBL28559874	0.90	FAAH (0.50)	CTSBCTSKCTSDFAAHPSMB5
SCHEMBL29603831	0.90	FAAH (0.50)	CTSBCTSKCTSDFAAHPSMB5
SCHEMBL28560400	0.85	CTSD (0.53)	CTSBCTSKCTSDFAAHPSMB5
SCHEMBL28563734	0.85	CTSD (0.53)	CTSBCTSKCTSDFAAHPSMB5
SCHEMBL28517814	0.85	CTSD (0.53)	CTSBCTSKCTSDFAAHPSMB5
SCHEMBL29535660	0.85	CTSD (0.53)	CTSBCTSKCTSDFAAHPSMB5
SCHEMBL28525512	0.85	PSMB5 (0.63)	CTSBCTSKCTSDFAAHPSMB5

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