SCHEMBL21035656

CC(C)(C)OC(=O)NC1CC2CCC(C1)C2C(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)c(-c3ccccc3)c2)CN1S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MCL1	Q07820	14/20	0.37

▸	ACLY	P53396	1/20	0.36

▸	BCL2	P10415	5/20	0.36

▸	BCL2L1	Q07817	3/20	0.36

▸	MMP9	P14780	3/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	L3MBTL1	Q9Y468	1/20	0.35

▸	CA12	O43570	2/20	0.34

▸	CA2	P00918	2/20	0.34

▸	MMP2	P08253	1/20	0.34

▸	BTK	Q06187	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
SCHEMBL21036274	0.90	MMP9 (0.35)	MCL1BCL2BCL2L1MMP9KMT2A
SCHEMBL21034983	0.89	MCL1 (0.38)	MCL1ACLYBCL2BCL2L1MMP9
SCHEMBL21035658	0.86	GHSR (0.39)	MMP9CA12CA2MMP2
SCHEMBL21034976	0.86	GHSR (0.39)	MMP9CA12CA2MMP2
SCHEMBL21034975	0.82	MMP9 (0.43)	MMP9CA12CA2MMP2
SCHEMBL21035657	0.82	MMP9 (0.43)	MMP9CA12CA2MMP2
SCHEMBL21034978	0.81	MCL1 (0.39)	MCL1BCL2BCL2L1MMP9KMT2A
SCHEMBL21035354	0.81	MCL1 (0.39)	MCL1BCL2BCL2L1MMP9KMT2A
SCHEMBL21035520	0.80	L3MBTL1 (0.39)	MCL1MMP9KMT2AL3MBTL1CA12
SCHEMBL21035406	0.80	KMT2A (0.36)	MCL1BCL2BCL2L1MMP9KMT2A

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