SCHEMBL20016562

CC(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TTR	P02766	1/20	0.45

▸	IL2	P60568	1/20	0.45

▸	KLKB1	P03952	3/20	0.37

▸	FOLH1	Q04609	1/20	0.36

▸	PLG	P00747	1/20	0.34

▸	F2RL1	P55085	1/20	0.33

▸	OPRM1	P35372	1/20	0.32

▸	DGAT1	O75907	3/20	0.32

▸	F2R	P25116	1/20	0.31

▸	OPRK1	P41145	2/20	0.30

▸	SIRT2	Q8IXJ6	1/20	0.30

▸	SIRT1	Q96EB6	1/20	0.30

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
SCHEMBL24335147	0.94	TTR (0.43)	TTRIL2KLKB1FOLH1PLG
SCHEMBL29351004	0.94	TTR (0.46)	TTRIL2KLKB1FOLH1PLG
SCHEMBL26412265	0.93	TTR (0.42)	TTRIL2KLKB1FOLH1PLG
SCHEMBL22969740	0.93	TTR (0.38)	TTRIL2KLKB1FOLH1PLG
SCHEMBL22452311	0.92	TTR (0.37)	TTRIL2KLKB1FOLH1PLG
SCHEMBL23180460	0.92	TTR (0.37)	TTRIL2KLKB1FOLH1PLG
SCHEMBL24176337	0.91	TTR (0.37)	TTRIL2KLKB1FOLH1PLG
SCHEMBL25204552	0.91	TTR (0.46)	TTRIL2KLKB1FOLH1PLG
SCHEMBL24502762	0.89	TTR (0.36)	TTRIL2KLKB1PLG
SCHEMBL12342504	0.89	TTR (0.44)	TTRIL2KLKB1FOLH1PLG

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
US-9931417-B2	Antibody-SN-38 immunoconjugates with a CL2A linker	IMMUNOMEDICS, INC. (US)	2018-04-03	—	—	US	disclosed