SCHEMBL9503522

SCHEMBL9503522

CCCN(CCOc1ccccc1)CCc1ccc(OC(=O)CC)c(OC(=O)CC)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
EBP Q15125 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52

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
SCHEMBL9504438 0.78 ADRA1D (0.69) SIGMAR1EBPTMEM97
SCHEMBL9504591 0.77 SIGMAR1 (0.59) SIGMAR1EBPTMEM97
Hydrochloric Acid SCHEMBL9504430 0.77 ADRA1D (0.68) SIGMAR1EBPTMEM97
Succinic Acid SCHEMBL9503359 0.77 ADRA1D (0.60)
SCHEMBL10956576 0.76 TRPV1 (0.53) SIGMAR1EBPTMEM97
Maleic Acid SCHEMBL9506523 0.75 SIGMAR1 (0.56) SIGMAR1EBPTMEM97
Bromide SCHEMBL10960279 0.75 KDM4E (0.54) SIGMAR1EBPTMEM97
SCHEMBL9503326 0.74 SIGMAR1 (0.45) SIGMAR1EBPTMEM97
SCHEMBL14463907 0.74 LTA4H (0.57) SIGMAR1EBP
SCHEMBL9505419 0.73 NCEH1 (0.45) 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