SCHEMBL9503329

SCHEMBL9503329

CCCN(CCOc1c(Cl)cccc1Cl)CCC1=CC=C(OC(C)=O)C(O)(C(C)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPBWR1 P48145 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL9505420 0.85 KDM4E (0.37) KDM4EALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL9505422 0.85 BCHE (0.36) KDM4E
SCHEMBL9503554 0.81 NPC1 (0.35) KDM4ESMN1; SMN2
SCHEMBL9503326 0.72 SIGMAR1 (0.45)
SCHEMBL9503527 0.72 BCHE (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9505418 0.66 SIGMAR1 (0.43) KDM4E
SCHEMBL9505419 0.65 NCEH1 (0.45)
SCHEMBL9503683 0.65 DRD2 (0.64) KDM4E
Hydrochloric Acid SCHEMBL9507149 0.64 DRD2 (0.63) KDM4E
SCHEMBL9503551 0.62 SIGMAR1 (0.41)

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