SCHEMBL20353410

C[C@H](NC(=O)[C@@H]1CC(=O)CN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)C(=O)NCc1ccccc1)NC(=O)c1ccncc1C(=O)O)C(C)(C)C)C(=O)N[C@H](C(N)=O)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F13A1	P00488	20/20	0.68

▸	TGM2	P21980	20/20	0.68

▸	TGM6	O95932	1/20	0.66

▸	F13B	P05160	1/20	0.66

▸	TGM1	P22735	1/20	0.66

▸	TGM3	Q08188	1/20	0.66

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
SCHEMBL20338874	0.96	F13A1 (0.74)	F13A1TGM2TGM6F13BTGM1
SCHEMBL20338871	0.96	F13A1 (0.74)	F13A1TGM2TGM6F13BTGM1
SCHEMBL25636563	0.93	F13A1 (0.65)	F13A1TGM2TGM6F13BTGM1
SCHEMBL25636481	0.92	F13A1 (0.73)	F13A1TGM2TGM6F13BTGM1
SCHEMBL20353436	0.92	F13A1 (0.71)	F13A1TGM2TGM6F13BTGM1
SCHEMBL21516594	0.91	F13A1 (0.67)	F13A1TGM2TGM6F13BTGM1
SCHEMBL20338799	0.89	F13A1 (0.77)	F13A1TGM2TGM6F13BTGM1
SCHEMBL20338806	0.89	F13A1 (0.77)	F13A1TGM2TGM6F13BTGM1
SCHEMBL20338789	0.88	F13A1 (0.80)	F13A1TGM2TGM6F13BTGM1
SCHEMBL20338785	0.88	F13A1 (0.80)	F13A1TGM2TGM6F13BTGM1

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-2018122419-A1	INHIBITORS OF TRANSGLUTAMINASES	ZEDIRA GMBH (DE)	2018-07-05	—	—	WO	disclosed