SCHEMBL8766856

SCHEMBL8766856

CS(=O)(=O)C(CC(=O)CN1CCC1=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RCE1 Q9Y256 1/20 0.36
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8767314 0.83 PKM (0.38) HTTLMNAALDH1A1ADRA1DADRA1A
SCHEMBL8766432 0.78 HTT (0.40) HTTLMNAALDH1A1ADRA1DADRA1A
SCHEMBL8766787 0.76 HTT (0.39) HTTLMNAALDH1A1ADRA1DADRA1A
SCHEMBL8767268 0.75 TRPA1 (0.41) LMNA
SCHEMBL8772451 0.72 LMNA (0.40) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL8553752 0.72 CACNA2D1 (0.40) HTTLMNAADRA1DADRA1AADRA1B
SCHEMBL8767339 0.72 HTT (0.38) HTTLMNAALDH1A1ADRA1DADRA1A
SCHEMBL2208265 0.72 CYP2C19 (0.47) ALDH1A1KMT2ACYP2C19MAPT
SCHEMBL8772395 0.72 LMNA (0.39) HTTLMNAALDH1A1ADRA1DADRA1A
SCHEMBL8766468 0.71 PKM (0.41) HTTLMNAADRA1DADRA1AADRA1B

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
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed