SCHEMBL21733283

C=C(C)C(=O)OC1CC(C)(C)N(O)C(C)(CCC2(C)CC(OC(=O)C(=C)C)CC(C)(CCC3(C)CC(OC(=O)C(=C)C)CC(C)(C)N3O)N2C)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	2/20	0.34

▸	HTT	P42858	1/20	0.34

▸	TSHR	P16473	2/20	0.33

▸	KMT2A	Q03164	2/20	0.33

▸	ALDH1A1	P00352	1/20	0.32

▸	ESR1	P03372	1/20	0.32

▸	HSD17B10	Q99714	1/20	0.32

▸	MEN1	O00255	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
SCHEMBL7510697	0.84	GAA (0.44)	GAAHTTTSHRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8777405	0.82	GAA (0.47)	GAAHTTTSHRKMT2AALDH1A1
SCHEMBL26004115	0.81	ALDH1A1 (0.33)	TSHRKMT2AALDH1A1
SCHEMBL8854706	0.81	TSHR (0.39)	GAAHTTTSHRKMT2AALDH1A1
SCHEMBL67638	0.81	TSHR (0.39)	GAAHTTTSHRKMT2AALDH1A1
SCHEMBL27243145	0.76	ALDH1A1 (0.47)	GAAHTTTSHRKMT2AALDH1A1
SCHEMBL1954401	0.75	TSHR (0.39)	GAAHTTTSHRKMT2AALDH1A1
SCHEMBL3474638	0.74	TSHR (0.35)	GAATSHRKMT2AALDH1A1ESR1
SCHEMBL17342020	0.74	TSHR (0.35)	GAATSHRKMT2AALDH1A1ESR1
SCHEMBL251451	0.74	TSHR (0.37)	GAAHTTTSHRKMT2AALDH1A1

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-2020035400-A1	POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM	MERCK PATENT GMBH (DE)	2020-02-20	—	—	WO	disclosed