SCHEMBL5801560

CC(=O)O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O[C@@H]2O[C@H](C(O)C(C)=O)[C@@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]2(O)C(C)=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	4/20	0.38

▸	TSHR	P16473	1/20	0.36

▸	ANTXR2	P58335	3/20	0.36

▸	USP2	O75604	2/20	0.36

▸	F11	P03951	2/20	0.36

▸	CA1	P00915	2/20	0.36

▸	CA2	P00918	2/20	0.36

▸	TMPRSS2	O15393	1/20	0.36

▸	PDE5A	O76074	1/20	0.36

▸	HMGCR	P04035	1/20	0.36

▸	CYP1A2	P05177	1/20	0.36

▸	LCK	P06239	1/20	0.36

▸	FYN	P06241	1/20	0.36

▸	HSPD1	P10809	1/20	0.36

▸	CYP2C9	P11712	1/20	0.36

▸	CA6	P23280	1/20	0.36

▸	TBXAS1	P24557	1/20	0.36

▸	MAPK3	P27361	1/20	0.36

▸	MAPK1	P28482	1/20	0.36

▸	HSPE1	P61604	1/20	0.36

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
SCHEMBL11108863	0.85	CYP2D6 (0.43)	TSHRCA1CA2FYNPRKCA
SCHEMBL5756982	0.84	CYP2D6 (0.42)	CA1CA2FYNPRKCAAKT1
SCHEMBL11208480	0.79	MEN1 (0.40)	USP2CA1CA2CYP2C9MAPK1
SCHEMBL8143628	0.78	CA2 (0.41)	TSHRCA1CA2FYNPRKCA
SCHEMBL22983975	0.77	PTPN1 (0.59)	PTPN1TSHRANTXR2USP2F11
SCHEMBL10056632	0.77	PTPN1 (0.59)	PTPN1TSHRANTXR2USP2F11
SCHEMBL3312921	0.77	PTPN1 (0.59)	PTPN1TSHRANTXR2USP2F11
SCHEMBL22796983	0.77	PTPN1 (0.59)	PTPN1TSHRANTXR2USP2F11
SCHEMBL15468205	0.77	PTPN1 (0.59)	PTPN1TSHRANTXR2USP2F11
SCHEMBL10338159	0.77	PTPN1 (0.59)	PTPN1TSHRANTXR2USP2F11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2006055644-A2	SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS	GENENCOR INTERNATIONAL, INC. (US)	2006-05-26	—	—	WO	disclosed
WO-2006055437-A2	SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS	GENENCOR INTERNATIONAL, INC. (US)	2006-05-26	—	—	WO	disclosed