SCHEMBL863577

CC(C)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCCOCCOC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TDP1	Q9NUW8	1/20	0.39

▸	ALDH1A1	P00352	4/20	0.33

▸	TSHR	P16473	3/20	0.33

▸	TP53	P04637	2/20	0.33

▸	HIF1A	Q16665	2/20	0.33

▸	HSD17B10	Q99714	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	DGKA	P23743	1/20	0.31

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
SCHEMBL2757536	0.96	TDP1 (0.41)	TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL12189970	0.89	TDP1 (0.40)	TDP1ALDH1A1TSHRDGKA
SCHEMBL26938396	0.80	SCN1A (0.40)	TDP1ALDH1A1MEN1KMT2A
SCHEMBL5607500	0.79	NAAA (0.38)	TDP1ALDH1A1TSHRDGKA
SCHEMBL29339586	0.78	TDP1 (0.51)	TDP1ALDH1A1HSD17B10KMT2A
SCHEMBL11713191	0.77	PAM (0.44)	TDP1ALDH1A1TSHR
SCHEMBL5608010	0.76	NAAA (0.48)	TDP1ALDH1A1TSHRDGKA
SCHEMBL17998810	0.74	DGKA (0.52)	TDP1ALDH1A1TSHRDGKA
SCHEMBL9911428	0.74	ALDH1A1 (0.39)	TDP1ALDH1A1TSHR
SCHEMBL3248904	0.74	GAA (0.50)	ALDH1A1TSHRHSD17B10KMT2A

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
US-8575276-B2	Biomimetic compounds and synthetic methods therefor	KNC NER ACQUISITION SUB, INC. (US)	2013-11-05	—	—	US	disclosed
US-20120078296-A1	BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR	KNC NER ACQUISITION SUB, INC. (US)	2012-03-29	—	—	US	disclosed