SCHEMBL18619580

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccc(C2C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)CF)N(C(=O)[C@H](NC(=O)OCc3ccccc3)c3cccnc3)C2)cc1)C(=O)CF

nearest known ligand 0.47

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MALT1	Q9UDY8	1/20	0.47

▸	HTRA1	Q92743	13/20	0.40

▸	TGM2	P21980	2/20	0.37

▸	ALDH1A1	P00352	2/20	0.36

▸	CYP3A4	P08684	2/20	0.36

▸	F13A1	P00488	1/20	0.36

▸	TGM1	P22735	1/20	0.36

▸	ACE	P12821	1/20	0.36

▸	DPP4	P27487	1/20	0.36

▸	DPP8	Q6V1X1	1/20	0.36

▸	DPP9	Q86TI2	1/20	0.36

▸	DPP7	Q9UHL4	1/20	0.36

▸	TSHR	P16473	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
SCHEMBL18619567	0.94	MALT1 (0.52)	MALT1HTRA1TGM2ALDH1A1CYP3A4
SCHEMBL18619574	0.94	MALT1 (0.52)	MALT1HTRA1TGM2ALDH1A1CYP3A4
SCHEMBL18619573	0.89	MALT1 (0.53)	MALT1ALDH1A1CYP3A4ACEDPP4
SCHEMBL20485182	0.84	MALT1 (0.41)	MALT1
SCHEMBL20484728	0.84	MALT1 (0.41)	MALT1
SCHEMBL20485178	0.84	MALT1 (0.41)	MALT1
SCHEMBL20484726	0.84	MALT1 (0.41)	MALT1
SCHEMBL20484723	0.84	MALT1 (0.41)	MALT1
SCHEMBL18619636	0.80	MALT1 (0.55)	MALT1ACEDPP4DPP8
SCHEMBL22209464	0.80	MALT1 (0.57)	MALT1ACEDPP4DPP8DPP9

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-2017040304-A1	MALT1 INHIBITORS AND USES THEREOF	CORNELL UNIVERSITY (US)	2017-03-09	—	—	WO	disclosed