SCHEMBL21035006

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](Oc3ccc(-c4ccc(Cl)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ACACB	O00763	2/20	0.42

▸	MMP13	P45452	5/20	0.39

▸	MMP1	P03956	5/20	0.39

▸	ADAM17	P78536	4/20	0.39

▸	GHSR	Q92847	5/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	MMP9	P14780	2/20	0.37

▸	MCL1	Q07820	5/20	0.36

▸	MMP3	P08254	1/20	0.36

▸	MMP7	P09237	1/20	0.36

▸	BCL2	P10415	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
SCHEMBL21036277	1.00	ACACB (0.42)	ACACBMMP13MMP1ADAM17GHSR
SCHEMBL21035644	1.00	ACACB (0.42)	ACACBMMP13MMP1ADAM17GHSR
SCHEMBL21035086	1.00	ACACB (0.42)	ACACBMMP13MMP1ADAM17GHSR
SCHEMBL21035662	0.96	ACACB (0.41)	ACACBMMP13MMP1ADAM17MEN1
SCHEMBL21035580	0.96	ACACB (0.41)	ACACBMMP13MMP1ADAM17MEN1
SCHEMBL21035127	0.96	ACACB (0.41)	ACACBMMP13MMP1ADAM17MEN1
SCHEMBL21035341	0.94	ACACB (0.42)	ACACBMMP13MMP1ADAM17MEN1
SCHEMBL21035143	0.91	ACACB (0.41)	ACACBMMP13MMP1ADAM17KMT2A
SCHEMBL21035408	0.91	ACACB (0.41)	ACACBMMP13MMP1ADAM17KMT2A
SCHEMBL21035643	0.91	ACACB (0.41)	ACACBMMP13MMP1ADAM17KMT2A

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-2019104011-A1	CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE	BIOMARIN PHARMACEUTICAL INC. (US)	2019-05-31	—	—	WO	disclosed