SCHEMBL16873794

CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C=NN=Cc2ccccc2O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	1/20	0.54

▸	CYP2D6	P10635	2/20	0.52

▸	THRB	P10828	1/20	0.52

▸	HSD17B10	Q99714	1/20	0.52

▸	P4HB	P07237	1/20	0.52

▸	PDIA4	P13667	1/20	0.52

▸	PDIA3	P30101	1/20	0.52

▸	ALDH1A1	P00352	1/20	0.52

▸	MAPK1	P28482	1/20	0.52

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
SCHEMBL16873792	1.00	TSHR (0.54)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL16873790	1.00	TSHR (0.54)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL8945980	0.89	TSHR (0.56)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL20635289	0.89	TSHR (0.56)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL2338993	0.89	TSHR (0.56)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL20635286	0.84	TSHR (0.57)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL20633976	0.83	P4HB (0.61)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL8946122	0.83	TSHR (0.59)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL7744449	0.83	TSHR (0.59)	TSHRCYP2D6THRBHSD17B10P4HB
SCHEMBL23479749	0.82	TSHR (0.58)	TSHRCYP2D6THRBHSD17B10P4HB

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-20150192589-A1	METHOD USING FLUORESCENT TURN-ON PROBES FOR CELL-SPECIFIC DETECTION	AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG)	2015-07-09	—	—	US	disclosed