SCHEMBL9751613

CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1[C@@]1(O)[C@@H](O)[C@H]([C@@]2(O)[C@H](O)[C@@H](O)[C@@H](OCC[Si](C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	2/20	0.43

▸	MEN1	O00255	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

▸	ALDH1A1	P00352	2/20	0.38

▸	THRB	P10828	1/20	0.38

▸	LGALS8	O00214	1/20	0.36

▸	LGALS3	P17931	1/20	0.36

▸	LGALS4	P56470	1/20	0.36

▸	B4GALT1	P15291	1/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	MAG	P20916	2/20	0.35

▸	CHIA	Q9BZP6	1/20	0.35

▸	CD69	Q07108	1/20	0.34

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
SCHEMBL9697583	0.75	ALDH1A1 (0.50)	MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL9614875	0.75	ALDH1A1 (0.50)	MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL7473255	0.75	ALDH1A1 (0.37)	MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL11102486	0.74	MAPK1 (0.46)	MAPK1MEN1KMT2AALDH1A1THRB
SCHEMBL9751492	0.74	—	—
SCHEMBL6013490	0.71	LGALS3 (0.47)	MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL5525285	0.70	MAPK1 (0.43)	MAPK1MEN1KMT2AALDH1A1THRB
SCHEMBL18880335	0.69	MAPK1 (0.59)	MAPK1MEN1KMT2AALDH1A1THRB
SCHEMBL18392234	0.69	MAPK1 (0.57)	MAPK1MEN1KMT2AALDH1A1THRB
SCHEMBL29885761	0.69	MAPK1 (0.46)	MAPK1ALDH1A1THRBLGALS8LGALS3

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
EP-0428605-A1	SYNTHETIC RECEPTOR ANALOGUES.	SYMBICOM AB (SE)	1991-05-29	—	—	EP	disclosed
WO-1990001488-A1	SYNTHETIC RECEPTOR ANALOGUES	SYMBICOM AKTIEBOLAG (SE)	1990-02-22	—	—	WO	disclosed