SCHEMBL7910164

SCHEMBL7910164

CCCS(=O)(=O)NC1CC(C)(C)Oc2ccc(OC(C)CCC(=O)OCC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.39
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSD P07339 5/20 0.35
BACE1 P56817 5/20 0.35
SIRT1 Q96EB6 3/20 0.34
KCNA5 P22460 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
MAPT P10636 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNE1 P15382 2/20 0.31
KCNQ1 P51787 2/20 0.31

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
SCHEMBL7913688 0.91 CTSD (0.36) SIRT2ALDH1A1GAAKDM4EHPGD
SCHEMBL7900359 0.86 KCNE1 (0.41) SIRT2ALDH1A1GAAKDM4EHPGD
SCHEMBL6604070 0.79 ALDH1A1 (0.36) SIRT2ALDH1A1GAAKDM4EHPGD
SCHEMBL7910522 0.77 KCNE1 (0.43) SIRT2ALDH1A1CTSDBACE1KCNA5
SCHEMBL7910178 0.77 KCNE1 (0.42) SIRT2ALDH1A1GAAKDM4EHPGD
SCHEMBL7906977 0.74 CNR2 (0.41) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL7908101 0.73 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDCASP1
SCHEMBL6559382 0.72 MAPT (0.45) SIRT2ALDH1A1GAACTSDBACE1
SCHEMBL6559918 0.71 TRPV1 (0.38) SIRT2ALDH1A1GAAKDM4ECTSD
SCHEMBL6558641 0.69 TRPV1 (0.39) SIRT2CTSDBACE1SIRT1KCNA5

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-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed