SCHEMBL8105764

C=CC(=O)OCCCCCCCCCCCOc1ccc(C#Cc2ccc(C(=O)Oc3cc4c5cc(OC(=O)c6ccc(C#Cc7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)c(OC(=O)c6ccc(C#Cc7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)cc5c5cc(OC(=O)c6ccc(C#Cc7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)c(OC(=O)c6ccc(C#Cc7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)cc5c4cc3OC(=O)c3ccc(C#Cc4ccc(OCCCCCCCCCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	HTT	P42858	3/20	0.44

▸	THRB	P10828	1/20	0.43

▸	TSHR	P16473	3/20	0.42

▸	ALDH1A1	P00352	2/20	0.42

▸	CYP3A4	P08684	2/20	0.42

▸	POLB	P06746	1/20	0.39

▸	APEX1	P27695	1/20	0.39

▸	TDP1	Q9NUW8	1/20	0.39

▸	GAA	P10253	1/20	0.38

▸	NPC1	O15118	2/20	0.38

▸	LMNA	P02545	2/20	0.38

▸	NFKB1	P19838	1/20	0.38

▸	NFKB2	Q00653	1/20	0.38

▸	RELA	Q04206	1/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.38

▸	MAPT	P10636	3/20	0.38

▸	L3MBTL1	Q9Y468	2/20	0.37

▸	HPGD	P15428	1/20	0.37

▸	PTPN2	P17706	2/20	0.36

▸	PTPN1	P18031	2/20	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
SCHEMBL1068298	0.94	HTT (0.48)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL710505	0.93	THRB (0.49)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL8090334	0.91	HTT (0.45)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL12604093	0.90	HTT (0.48)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL19821112	0.90	HTT (0.48)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL25227627	0.89	THRB (0.47)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL19821108	0.88	THRB (0.49)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL16772460	0.88	THRB (0.49)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL20709789	0.87	MAPT (0.41)	HTTTHRBTSHRALDH1A1CYP3A4
SCHEMBL12484382	0.87	HTT (0.44)	HTTTHRBTSHRALDH1A1CYP3A4

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
JP-2000044507-A	OPTICAL COMPENSATION SHEET, LIQUID CRYSTAL DISPLAY ELEMENT, DISCOTHEQUE COMPOUND AND LIQUID CRYSTAL COMPOSITION	FUJI PHOTO FILM CO LTD	2000-02-15	—	—	JP	disclosed