SCHEMBL8630101

CCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@H](OCCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	9/20	0.37

▸	PTPN2	P17706	6/20	0.37

▸	CDC25B	P30305	6/20	0.37

▸	CDC25A	P30304	3/20	0.37

▸	PTPN6	P29350	1/20	0.37

▸	PTPN11	Q06124	1/20	0.37

▸	GJB2	P29033	1/20	0.36

▸	GJA1	P17302	1/20	0.36

▸	TACR2	P21452	2/20	0.34

▸	L3MBTL1	Q9Y468	2/20	0.33

▸	SSTR4	P31391	2/20	0.33

▸	NT5E	P21589	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
SCHEMBL8625285	0.86	GJB2 (0.37)	PTPN1PTPN2CDC25BCDC25APTPN6
SCHEMBL8627917	0.84	MEN1 (0.36)	—
SCHEMBL8628196	0.84	GJB2 (0.43)	PTPN1PTPN2CDC25BGJB2GJA1
SCHEMBL26443909	0.84	GJB2 (0.43)	PTPN1PTPN2CDC25BGJB2GJA1
SCHEMBL8625319	0.82	GJB2 (0.41)	PTPN1PTPN2CDC25BGJB2GJA1
SCHEMBL8625721	0.78	GJB2 (0.37)	PTPN1PTPN2CDC25BPTPN11GJB2
SCHEMBL8630331	0.77	GJB2 (0.45)	GJB2GJA1TACR2SSTR4
SCHEMBL15377840	0.77	GJB2 (0.41)	PTPN1PTPN2CDC25BGJB2GJA1
SCHEMBL8907486	0.75	GJB2 (0.47)	GJB2GJA1TACR2SSTR4
SCHEMBL9101113	0.74	SSTR4 (0.40)	PTPN1PTPN2CDC25BCDC25APTPN6

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-5747463-A	SELECTIN ANTAGONISTS; ANTIINFLAMMATORY AGENTS	BRISTOL-MYERS SQUIBB COMPANY (US)	1998-05-05	—	—	US	disclosed