SCHEMBL20635300

COC(=O)C(Cc1ccc(OS(=O)(=O)Oc2ccccc2O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KLK5	Q9Y337	1/20	0.37

▸	EPHX2	P34913	1/20	0.36

▸	ABCB1	P08183	1/20	0.36

▸	BCL2	P10415	1/20	0.36

▸	P2RX7	Q99572	4/20	0.34

▸	HDAC8	Q9BY41	1/20	0.34

▸	CTSS	P25774	3/20	0.34

▸	CTSK	P43235	2/20	0.34

▸	PTPN1	P18031	1/20	0.34

▸	YAP1	P46937	1/20	0.34

▸	P4HB	P07237	1/20	0.34

▸	CACNA1B	Q00975	1/20	0.33

▸	CTSL	P07711	1/20	0.33

▸	CTSB	P07858	1/20	0.33

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
SCHEMBL24109366	0.94	CA12 (0.38)	KLK5EPHX2ABCB1BCL2P2RX7
SCHEMBL20634546	0.89	SLC5A1 (0.35)	KLK5EPHX2ABCB1BCL2P2RX7
SCHEMBL20635532	0.87	CA12 (0.42)	—
SCHEMBL20634547	0.87	CA12 (0.42)	—
SCHEMBL20634548	0.82	SLC5A2 (0.45)	KLK5EPHX2ABCB1BCL2PTPN1
SCHEMBL20634016	0.81	CA12 (0.40)	KLK5
SCHEMBL25729790	0.81	KLK5 (0.41)	KLK5HDAC8CTSSCTSKCACNA1B
SCHEMBL20635298	0.78	PTPN1 (0.43)	ABCB1BCL2HDAC8CTSSCTSK
SCHEMBL25721693	0.77	KLK5 (0.40)	KLK5EPHX2ABCB1BCL2HDAC8
SCHEMBL20635533	0.76	ITGB3 (0.45)	ABCB1BCL2HDAC8CTSSCTSK

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-2019008441-A1	COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF	INTOCELL, INC. (KR)	2019-01-10	—	—	WO	disclosed