SCHEMBL9520649

SCHEMBL9520649

CC(=O)OCC1(O)CC2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C19 P33261 1/20 0.30
ALOX5AP P20292 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
SCHEMBL14213208 0.79 HMGCR (0.31) ALDH1A1
SCHEMBL3894280 0.72 ALOX5AP (0.32) HSD11B1ALOX5AP
SCHEMBL31333039 0.72 HSD11B1 (0.48) HSD11B1ALDH1A1
SCHEMBL441423 0.70 ALOX15 (0.40) HSD11B1
SCHEMBL900016 0.70 ALOX5AP (0.39) LMNAHSD11B1ALOX5AP
SCHEMBL13779595 0.69 ALOX5AP (0.30) ALOX5AP
SCHEMBL13183136 0.69
SCHEMBL15223673 0.69 HSD11B1 (0.34) HSD11B1ALOX5AP
SCHEMBL4449268 0.69 GRIN2D (0.34) HSD11B1ALOX5AP
SCHEMBL13779594 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216141-A OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR LINKAGES BENNER, STEVEN 1993-06-01 US disclosed
EP-0418309-A4 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR 1993-01-07 EP disclosed
EP-0418309-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER, Steven Albert (CH) 1991-03-27 EP disclosed
WO-1989012060-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER STEVEN ALBERT (CH) 1989-12-14 WO disclosed