SCHEMBL6976918

SCHEMBL6976918

O=C(O)C1(c2ccc(Cl)cc2)OCC2(CCC2)CO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.40
HDAC4 P56524 1/20 0.40
CCR2 P41597 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.37
TET3 O43151 1/20 0.37
KMT2A Q03164 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CXXC4 Q9H2H0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
LMNA P02545 2/20 0.35
PTGS2 P35354 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL377756 0.82 MAPK1 (0.40) HSD11B1HDAC4CCR2ALDH1A1MAPK1
SCHEMBL2671790 0.80 ALDH1A1 (0.41) HSD11B1HDAC4CCR2ALDH1A1MAPK1
SCHEMBL6977864 0.79 MEN1 (0.51) HSD11B1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL6967893 0.78 CNR1 (0.40) HSD11B1ALDH1A1MAPK1TET3KMT2A
SCHEMBL6971210 0.77 CYP1A2 (0.41) HSD11B1KMT2ALMNA
SCHEMBL6975695 0.76 POLB (0.38) HSD11B1ALDH1A1MAPK1KMT2APTGS2
SCHEMBL6974413 0.75 HRH1 (0.37) HDAC4MAPK1LMNA
SCHEMBL6982483 0.75 KIF11 (0.44) HSD11B1HDAC4ALDH1A1MAPK1LMNA
SCHEMBL6975649 0.74 L3MBTL1 (0.42) ALDH1A1KMT2A
SCHEMBL1794 0.71 AKR1C1 (0.62) HSD11B1HDAC4ALDH1A1TET3KMT2A

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