SCHEMBL7992209

CC(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1-c1nc2ccccc2[nH]1.CC(C)(C)C(=O)Oc1cc(Cl)ccc1-c1nc2ccccc2[nH]1.CC(C)(C)C(=O)Oc1ccc(Cl)cc1-c1nc2ccccc2[nH]1.CC(C)(C)C(=O)Oc1ccccc1-c1nc2cc(Cl)ccc2[nH]1.CC(C)(C)C(=O)Oc1ccccc1-c1nc2ccccc2[nH]1.COc1cccc(-c2nc3ccccc3[nH]2)c1OC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	AMY1A	P0DUB6	8/20	0.43

▸	NPC1	O15118	2/20	0.40

▸	RAB9A	P51151	2/20	0.40

▸	POLB	P06746	1/20	0.40

▸	KLF5	Q13887	1/20	0.40

▸	TDP1	Q9NUW8	1/20	0.40

▸	MAPT	P10636	4/20	0.40

▸	FGFR1	P11362	1/20	0.38

▸	MEN1	O00255	2/20	0.38

▸	ALDH1A1	P00352	2/20	0.38

▸	KMT2A	Q03164	2/20	0.38

▸	KDM4E	B2RXH2	1/20	0.38

▸	LMNA	P02545	1/20	0.38

▸	NPSR1	Q6W5P4	1/20	0.38

▸	TP53	P04637	1/20	0.37

▸	THRB	P10828	1/20	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
SCHEMBL7398763	0.81	AMY1A (0.50)	AMY1ANPC1RAB9AMAPTALDH1A1
SCHEMBL7392857	0.80	RAB9A (0.49)	AMY1ANPC1RAB9APOLBKLF5
SCHEMBL7392370	0.80	AMY1A (0.46)	AMY1ANPC1RAB9APOLBKLF5
SCHEMBL7399325	0.80	RAB9A (0.47)	AMY1ANPC1RAB9APOLBKLF5
SCHEMBL7390002	0.80	AMY1A (0.58)	AMY1ANPC1RAB9AMEN1ALDH1A1
SCHEMBL7396331	0.75	KDM4E (0.53)	AMY1ANPC1RAB9AMAPTALDH1A1
SCHEMBL7978070	0.74	AMY1A (0.47)	AMY1ANPC1RAB9APOLBKLF5
SCHEMBL7989302	0.74	AMY1A (0.42)	AMY1ATDP1MAPTMEN1ALDH1A1
SCHEMBL7387113	0.73	AMY1A (0.42)	AMY1ANPC1RAB9APOLBKLF5
SCHEMBL7388111	0.71	AMY1A (0.66)	AMY1AMAPTMEN1ALDH1A1KMT2A

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-2001066526-A1	ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM	CERMOL S.A. (CH)	2001-09-13	—	—	WO	disclosed