SCHEMBL19445643

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCCN)NC(=O)c4cc(NC(C)=O)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.43

▸	HDAC1	Q13547	1/20	0.42

▸	KLKB1	P03952	1/20	0.41

▸	TSHR	P16473	1/20	0.41

▸	MMP2	P08253	2/20	0.41

▸	KMT2A	Q03164	2/20	0.39

▸	MEN1	O00255	1/20	0.39

▸	LMNA	P02545	1/20	0.39

▸	MAPK1	P28482	1/20	0.39

▸	KCNB1	Q14721	2/20	0.39

▸	POLB	P06746	1/20	0.38

▸	PYGL	P06737	1/20	0.38

▸	PDF	Q9HBH1	1/20	0.37

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
SCHEMBL12767238	0.99	ALDH1A1 (0.43)	ALDH1A1HDAC1KLKB1TSHRMMP2
SCHEMBL12515365	0.99	ALDH1A1 (0.43)	ALDH1A1HDAC1KLKB1TSHRMMP2
SCHEMBL13978369	0.96	ALDH1A1 (0.44)	ALDH1A1HDAC1KLKB1TSHRMMP2
SCHEMBL10262850	0.95	KLKB1 (0.42)	ALDH1A1HDAC1KLKB1TSHRMMP2
SCHEMBL16907359	0.95	KLKB1 (0.42)	ALDH1A1HDAC1KLKB1TSHRMMP2
SCHEMBL13978413	0.94	ALDH1A1 (0.40)	ALDH1A1HDAC1KLKB1TSHRMMP2
SCHEMBL21371597	0.91	KLKB1 (0.41)	HDAC1KLKB1TSHRMMP2KMT2A
SCHEMBL21371927	0.91	KLKB1 (0.41)	HDAC1KLKB1TSHRMMP2KMT2A
SCHEMBL19445715	0.91	KLKB1 (0.41)	HDAC1KLKB1TSHRMMP2KMT2A
SCHEMBL19944772	0.91	KLKB1 (0.41)	HDAC1KLKB1TSHRMMP2KMT2A

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
EP-2709619-B1	COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS	CELLCEUTIX CORP (US)	2017-10-11	—	—	EP	disclosed