SCHEMBL19940362

C=C(c1ccccc1)[C@H]1NC(=O)[C@H](CC(C)=O)NC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)c2ccc(C)cc2)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	TPSAB1	Q15661	9/20	0.37

▸	LMNA	P02545	2/20	0.36

▸	POLB	P06746	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

▸	GAA	P10253	1/20	0.33

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	TMEM97	Q5BJF2	1/20	0.32

▸	HDAC3	O15379	2/20	0.32

▸	HDAC1	Q13547	2/20	0.32

▸	HDAC2	Q92769	1/20	0.32

▸	HDAC8	Q9BY41	1/20	0.32

▸	NCOR2	Q9Y618	1/20	0.32

▸	NPC1	O15118	1/20	0.32

▸	RAB9A	P51151	1/20	0.32

▸	ABCG2	Q9UNQ0	1/20	0.32

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
SCHEMBL21348134	0.83	ITGB3 (0.44)	TPSAB1TMEM97NPC1RAB9A
SCHEMBL19939614	0.83	ITGB3 (0.44)	TPSAB1TMEM97NPC1RAB9A
SCHEMBL19940364	0.81	L3MBTL1 (0.41)	TPSAB1LMNAPOLBALDH1A1NPSR1
SCHEMBL22793231	0.76	ITGB3 (0.47)	—
SCHEMBL21348133	0.76	L3MBTL1 (0.41)	TPSAB1LMNAPOLBALDH1A1NPSR1
SCHEMBL26220055	0.73	ITGB3 (0.52)	—
SCHEMBL19940184	0.72	ITGB3 (0.41)	TPSAB1
SCHEMBL16508329	0.70	ITGB3 (0.46)	TPSAB1
SCHEMBL19102258	0.70	ITGB3 (0.46)	TPSAB1
SCHEMBL19940190	0.69	ITGB3 (0.37)	TPSAB1

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-2018041985-A1	CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES	FORSCHUNGSVERBUND BERLIN E.V. (DE)	2018-03-08	—	—	WO	disclosed