SCHEMBL19445176

CCNC(=O)c1cc(NC(=O)C(CCCNC(=N)N)NC(=O)c2cc(NC(=O)C(CCCNC(=N)N)NC(=O)c3cc(NC(=O)C(CCCNC(=N)N)NC(=O)c4cc(NC(C)=O)ccc4OC)ccc3OC)ccc2OC)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	1/20	0.41

▸	ALDH1A1	P00352	1/20	0.39

▸	TSHR	P16473	1/20	0.38

▸	MMP2	P08253	2/20	0.38

▸	KCNB1	Q14721	4/20	0.37

▸	CA1	P00915	1/20	0.37

▸	CA2	P00918	1/20	0.37

▸	MAPK1	P28482	1/20	0.36

▸	KCNA5	P22460	1/20	0.36

▸	HDAC1	Q13547	1/20	0.36

▸	NPC1	O15118	1/20	0.35

▸	RAB9A	P51151	1/20	0.35

▸	POLB	P06746	1/20	0.35

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
SCHEMBL10262220	0.93	ALDH1A1 (0.41)	LMNAALDH1A1TSHRMMP2KCNB1
SCHEMBL12515508	0.93	ALDH1A1 (0.41)	LMNAALDH1A1TSHRMMP2KCNB1
SCHEMBL15277753	0.93	ALDH1A1 (0.41)	LMNAALDH1A1TSHRMMP2KCNB1
SCHEMBL21372067	0.92	ALDH1A1 (0.39)	ALDH1A1TSHRMMP2KCNB1CA1
SCHEMBL10260675	0.92	ALDH1A1 (0.39)	ALDH1A1TSHRMMP2KCNB1CA1
SCHEMBL12515240	0.91	MMP2 (0.41)	LMNAALDH1A1TSHRMMP2KCNB1
SCHEMBL12515513	0.91	MMP2 (0.41)	LMNAALDH1A1TSHRMMP2KCNB1
SCHEMBL19445550	0.91	ALDH1A1 (0.39)	LMNAALDH1A1TSHRMMP2KCNB1
SCHEMBL21371949	0.91	CA1 (0.40)	LMNAALDH1A1TSHRMMP2KCNB1
SCHEMBL19486135	0.91	CA1 (0.40)	LMNAALDH1A1TSHRMMP2KCNB1

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