SCHEMBL8567774

SCHEMBL8567774

COCC[N+]1(CCOC)CCNCCNCCNCC1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4893192 0.98 KDM4E (0.40) KDM4E
SCHEMBL4905435 0.87 KDM4E (0.36) KDM4E
SCHEMBL4893926 0.80 KDM4E (0.48) KDM4E
SCHEMBL4893222 0.77 KDM4E (0.59) KDM4E
SCHEMBL4893157 0.76 ALDH1A1 (0.32)
SCHEMBL4902574 0.75 KDM4E (0.56) KDM4E
SCHEMBL22121558 0.75 KDM4E (0.50) KDM4E
SCHEMBL4904648 0.73
SCHEMBL4901669 0.73 KDM4E (0.60) KDM4E
SCHEMBL4905005 0.71 SMN1; SMN2 (0.31)

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747000-A 1,4-7-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES; DETERMINING CHEMICAL SHIFT OF SIGNALS IN NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed