SCHEMBL6889550

CCC/C=C\c1c(C2=CCC(C)(C(=O)OCC)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GPR119	Q8TDV5	6/20	0.33

▸	DGAT1	O75907	3/20	0.32

▸	KDM4E	B2RXH2	1/20	0.30

▸	NPC1	O15118	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	TP53	P04637	1/20	0.30

▸	HPGD	P15428	1/20	0.30

▸	NFKB1	P19838	1/20	0.30

▸	STAT1	P42224	1/20	0.30

▸	RAB9A	P51151	1/20	0.30

▸	NFKB2	Q00653	1/20	0.30

▸	RELA	Q04206	1/20	0.30

▸	SMN1; SMN2	Q16637	1/20	0.30

▸	HSD17B10	Q99714	1/20	0.30

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
SCHEMBL10328312	0.94	GPR119 (0.32)	GPR119DGAT1KDM4ENPC1ALDH1A1
SCHEMBL10328157	0.93	GPR119 (0.32)	GPR119DGAT1KDM4ENPC1ALDH1A1
SCHEMBL10277732	0.89	GPR119 (0.34)	GPR119DGAT1KDM4ENPC1ALDH1A1
SCHEMBL1024240	0.87	DGAT1 (0.31)	DGAT1
SCHEMBL1024243	0.87	DGAT1 (0.31)	DGAT1
SCHEMBL21505	0.83	GPR119 (0.35)	GPR119DGAT1KDM4ENPC1ALDH1A1
SCHEMBL17850062	0.77	DGAT1 (0.36)	GPR119DGAT1ALDH1A1
SCHEMBL15007320	0.76	DGAT1 (0.38)	GPR119DGAT1KDM4ENPC1ALDH1A1
SCHEMBL15007521	0.76	DGAT1 (0.38)	GPR119DGAT1KDM4ENPC1ALDH1A1
SCHEMBL20438	0.76	DGAT1 (0.38)	GPR119DGAT1KDM4ENPC1ALDH1A1

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
WO-2011002887-A1	FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS	SCHERING CORPORATION (US)	2011-01-06	—	—	WO	disclosed