SCHEMBL6975649

SCHEMBL6975649

O=C(O)C1(c2ccc(Cl)cc2)OCC(Cc2ccccc2)(Cc2ccccc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CCR3 P51677 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CNR2 P34972 1/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
ADAM17 P78536 1/20 0.35
GPR183 P32249 1/20 0.35
MDM2 Q00987 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
SCHEMBL6967893 0.80 CNR1 (0.40) L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL377756 0.77 MAPK1 (0.40) ALDH1A1KMT2A
SCHEMBL6971210 0.75 CYP1A2 (0.41) TDP1MEN1KMT2AMDM2
SCHEMBL6976918 0.74 HSD11B1 (0.40) ALDH1A1KMT2A
SCHEMBL6974413 0.73 HRH1 (0.37)
SCHEMBL6982483 0.73 KIF11 (0.44) ALDH1A1
SCHEMBL2671790 0.72 ALDH1A1 (0.41) ALDH1A1KMT2A
SCHEMBL6975695 0.71 POLB (0.38) ALDH1A1MEN1KMT2A
SCHEMBL6981777 0.69 AKR1C1 (0.41) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7137847 0.67 LMNA (0.42) MAPTCCR3TDP1MEN1KMT2A

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