SCHEMBL17553607

C=CCOC(=O)N[C@@H](C)C(=O)NN(C(=O)OCC1c2ccccc2-c2ccccc21)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.38

▸	CASP3	P42574	4/20	0.37

▸	BACE1	P56817	1/20	0.36

▸	MDM4	O15151	1/20	0.36

▸	TP53	P04637	1/20	0.36

▸	ATM	Q13315	1/20	0.36

▸	KMT2A	Q03164	1/20	0.36

▸	CTSS	P25774	2/20	0.35

▸	CTSL	P07711	1/20	0.35

▸	CTSB	P07858	1/20	0.35

▸	CTSK	P43235	1/20	0.35

▸	CASP1	P29466	1/20	0.35

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
SCHEMBL17553585	0.93	CASP3 (0.42)	ALDH1A1CASP3MDM4TP53CASP1
SCHEMBL17553669	0.86	PTPN1 (0.37)	—
SCHEMBL17553512	0.86	MMP1 (0.40)	ALDH1A1KMT2A
SCHEMBL17553668	0.78	PTPN1 (0.43)	CASP3BACE1MDM4TP53ATM
SCHEMBL17553459	0.78	ADAM17 (0.44)	CASP3BACE1MDM4TP53CTSS
SCHEMBL17553583	0.77	CTSS (0.42)	ALDH1A1ATMKMT2ACTSSCTSL
SCHEMBL17553677	0.77	ALDH1A1 (0.42)	ALDH1A1CASP3CASP1
SCHEMBL17553674	0.76	ALDH1A1 (0.44)	ALDH1A1ATMKMT2ACTSSCTSL
SCHEMBL17553602	0.75	CASP3 (0.47)	CASP3MDM4TP53
SCHEMBL17553582	0.75	MDM4 (0.41)	CASP3BACE1MDM4TP53ATM

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-2016029324-A1	AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF	RSEM, LIMITED PARTNERSHIP (CA)	2016-03-03	—	—	WO	disclosed