SCHEMBL18735981

CC(=O)N[C@H]1C(OC(C)=O)[C@H](OC(C)=O)C(COC(C)=O)O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)[C@@H]1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)[C@@H]1NC(C)=O)NC(=O)CCCCCCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	3/20	0.50

▸	KMT2A	Q03164	1/20	0.50

▸	POLB	P06746	2/20	0.47

▸	CYP3A4	P08684	1/20	0.43

▸	MAPT	P10636	1/20	0.43

▸	CYP2C9	P11712	1/20	0.43

▸	CYP2C19	P33261	1/20	0.43

▸	ALDH1A1	P00352	3/20	0.40

▸	KDM4E	B2RXH2	1/20	0.36

▸	TACR1	P25103	3/20	0.36

▸	CYP2D6	P10635	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	MMP12	P39900	2/20	0.35

▸	MMP9	P14780	1/20	0.35

▸	SELP	P16109	2/20	0.35

▸	TSHR	P16473	1/20	0.34

▸	PRKCA	P17252	1/20	0.33

▸	AKT1	P31749	1/20	0.33

▸	PTK2	Q05397	1/20	0.33

▸	TGM2	P21980	1/20	0.33

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
SCHEMBL30280573	1.00	LMNA (0.50)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL20904163	1.00	LMNA (0.50)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL19573412	1.00	LMNA (0.50)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL26044647	1.00	LMNA (0.50)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL20050113	1.00	LMNA (0.50)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL22111994	0.99	LMNA (0.50)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL22021033	0.97	LMNA (0.47)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL27064098	0.97	LMNA (0.47)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL26044627	0.96	LMNA (0.47)	LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL31749580	0.96	LMNA (0.49)	LMNAKMT2APOLBCYP3A4MAPT

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-2017062862-A2	OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF	WAVE LIFE SCIENCES LTD. (SG)	2017-04-13	—	—	WO	disclosed