SCHEMBL6975654

SCHEMBL6975654

COC(=O)CCC1(CC(=O)OC)OCC2(CO1)c1ccccc1-c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGA4 P13612 1/20 0.40
PDK2 Q15119 2/20 0.36
APEX1 P27695 1/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
S1PR1 P21453 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL6970268 0.79 APEX1 (0.53) MEN1KMT2APDK2APEX1NPC1
SCHEMBL29441935 0.73 APEX1 (0.64) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL29407802 0.73 APEX1 (0.64) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL29407803 0.73 APEX1 (0.64) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL7627154 0.73 APEX1 (0.64) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL15691551 0.73 MAPT (0.47) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL21996423 0.72 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL17051271 0.72 APEX1 (0.62) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL28478377 0.72 MAPT (0.46) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL15691742 0.72 APEX1 (0.62) MAPTMEN1KMT2ANPSR1ALDH1A1

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-1098893-B1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed