SCHEMBL30493186

CC1(C)[C@H]2CC=C(CO[C@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ACHE	P22303	1/20	0.44

▸	PTPN1	P18031	7/20	0.42

▸	PTPN2	P17706	1/20	0.41

▸	TDP1	Q9NUW8	3/20	0.38

▸	KDM4E	B2RXH2	1/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	HTT	P42858	1/20	0.38

▸	MAPK1	P28482	1/20	0.36

▸	KDM6B	O15054	1/20	0.36

▸	PRKAG1	P54619	1/20	0.36

▸	PRKAA2	P54646	1/20	0.36

▸	PRKAB1	Q9Y478	1/20	0.36

▸	GLS	O94925	1/20	0.34

▸	XDH	P47989	1/20	0.34

▸	KCNH2	Q12809	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
SCHEMBL4274167	0.84	ACHE (0.49)	ACHETDP1KDM4ETSHRHTT
SCHEMBL12470949	0.72	SLC6A2 (0.52)	ACHEPTPN1PTPN2KDM6B
SCHEMBL29994094	0.72	SLC6A2 (0.52)	ACHEPTPN1PTPN2KDM6B
SCHEMBL18650630	0.71	PTPN1 (0.46)	ACHEPTPN1PTPN2KDM6B
SCHEMBL29624136	0.68	PTPN1 (0.54)	PTPN1PTPN2KDM4EKDM6B
SCHEMBL16572634	0.67	IGF2R (0.45)	PTPN1PTPN2MAPK1
SCHEMBL16572362	0.67	IGF2R (0.45)	PTPN1PTPN2MAPK1
SCHEMBL4267718	0.67	PTPN1 (0.43)	ACHEPTPN1PTPN2KDM6B
SCHEMBL207105	0.67	PTPN1 (0.43)	ACHEPTPN1PTPN2KDM6B
SCHEMBL2290293	0.67	PTPN1 (0.43)	ACHEPTPN1PTPN2KDM6B

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-20230226079-A1	METHODS AND COMPOSITIONS FOR TREATMENT OF SOLID TUMORS	SAINT LOUIS UNIVERSITY (US)	2023-07-20	—	—	US	disclosed