SCHEMBL24672849

OC[C@@H](O)[C@@H](CO)N1CCN(Cc2ccccc2)CCN(C[C@@H](O)Cc2cccc(CN3CCN([C@H](CO)[C@H](O)CO)CCN([C@H](CO)[C@H](O)CO)CC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	1/20	0.47

▸	GAA	P10253	1/20	0.47

▸	KDM4E	B2RXH2	1/20	0.47

▸	SIGMAR1	Q99720	2/20	0.44

▸	SLC6A4	P31645	2/20	0.43

▸	SLC6A3	Q01959	2/20	0.43

▸	IGF1R	P08069	1/20	0.43

▸	CACNA1G	O43497	2/20	0.42

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
SCHEMBL24673250	0.86	SIGMAR1 (0.56)	LMNAGAAKDM4ESIGMAR1IGF1R
SCHEMBL24672258	0.83	KDM4E (0.51)	LMNAGAAKDM4ESIGMAR1IGF1R
SCHEMBL24673260	0.79	APOBEC3A (0.51)	LMNAGAAKDM4ESIGMAR1
SCHEMBL12781846	0.77	KDM4E (0.66)	LMNAGAAKDM4ESIGMAR1IGF1R
SCHEMBL29201748	0.77	KDM4E (0.66)	LMNAGAAKDM4ESIGMAR1IGF1R
SCHEMBL24673253	0.74	MPO (0.48)	LMNAGAAKDM4E
SCHEMBL24673327	0.73	POLB (0.53)	LMNAKDM4E
SCHEMBL24673197	0.73	KDM4E (0.45)	KDM4E
SCHEMBL9621424	0.73	SLC6A4 (0.68)	SLC6A4SLC6A3
SCHEMBL24672858	0.73	HDAC4 (0.46)	LMNAGAA

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-2022204065-A1	IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS	THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US)	2022-09-29	—	—	WO	disclosed