SCHEMBL21035620

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccc(C4(C(F)(F)F)CC4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	MMP13	P45452	10/20	0.38

▸	MMP1	P03956	10/20	0.38

▸	MMP9	P14780	6/20	0.38

▸	MMP3	P08254	3/20	0.38

▸	MMP7	P09237	3/20	0.38

▸	ADAM17	P78536	6/20	0.37

▸	ACACB	O00763	1/20	0.36

▸	RORC	P51449	2/20	0.36

▸	NAMPT	P43490	1/20	0.35

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
SCHEMBL21035486	0.97	MMP13 (0.39)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21036241	0.97	MMP13 (0.39)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21035357	0.91	MMP1 (0.38)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21035570	0.88	MMP1 (0.40)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21035621	0.86	GHSR (0.44)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21035503	0.86	EPHX2 (0.39)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21035604	0.86	SCN9A (0.39)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21034944	0.86	PRKAA2 (0.40)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21036239	0.85	GHSR (0.40)	MMP13MMP1MMP9MMP3MMP7
SCHEMBL21035485	0.85	GHSR (0.40)	MMP13MMP1MMP9MMP3MMP7

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