SCHEMBL6981034

SCHEMBL6981034

O=C(O)C1OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 2/20 0.35
CYP2C19 P33261 1/20 0.34
HDAC4 P56524 1/20 0.34
MAOB P27338 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
SCHEMBL6974639 0.80 THRB (0.43) L3MBTL1POLBCASP6KMT2ASMN1; SMN2
SCHEMBL6983038 0.77 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AALDH1A1HTT
SCHEMBL28117468 0.73 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ACYP2C9MAPK1
SCHEMBL6981785 0.73 CYP2C9 (0.44) L3MBTL1POLBMEN1KMT2ACYP2C9
SCHEMBL12488444 0.69 OPRM1 (0.46) MEN1KMT2ACYP2C9MAPK1SMN1; SMN2
SCHEMBL9868039 0.69 CYP2C19 (0.38) MEN1KMT2ACYP2C19
SCHEMBL11463005 0.69 CYP2D6 (0.42) L3MBTL1MEN1KMT2ACYP2C9MAPK1
SCHEMBL6981777 0.69 AKR1C1 (0.41) L3MBTL1MEN1KMT2ACYP2C9MAPK1
SCHEMBL12893253 0.69 ESR2 (0.42) L3MBTL1MEN1KMT2AALDH1A1OPRM1
SCHEMBL14294601 0.68 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ACYP2C9MAPK1

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 3 patents. 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
EP-1098893-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000004011-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-01-27 WO disclosed