SCHEMBL9505418

SCHEMBL9505418

CCCN(CCOc1c(Cl)cccc1Cl)CCc1ccc(OC(=O)OCC)c(OC(=O)OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
EBP Q15125 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9503326 0.89 SIGMAR1 (0.45) SIGMAR1EBPTMEM97
SCHEMBL9505419 0.87 NCEH1 (0.45) SIGMAR1EBPTMEM97
SCHEMBL9503551 0.84 SIGMAR1 (0.41) SIGMAR1EBPTMEM97
SCHEMBL9503683 0.78 DRD2 (0.64) KDM4E
Hydrochloric Acid SCHEMBL9507149 0.77 DRD2 (0.63) KDM4E
SCHEMBL9506536 0.76 SIGMAR1 (0.48) SIGMAR1EBPTMEM97
SCHEMBL9505420 0.73 KDM4E (0.37) KDM4E
SCHEMBL9503522 0.72 SIGMAR1 (0.52) SIGMAR1EBPTMEM97
SCHEMBL10956576 0.72 TRPV1 (0.53) SIGMAR1EBPTMEM97KDM4E
SCHEMBL9504591 0.71 SIGMAR1 (0.59) SIGMAR1EBPTMEM97

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed