SCHEMBL6978773

SCHEMBL6978773

O=C(OC(=O)C1(c2cccc3ccccc23)OCC(c2ccccc2)(c2ccccc2)CO1)C1(c2ccco2)OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GSK3B P49841 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
SCHEMBL6978767 0.88 KMT2A (0.34) KMT2AHSD17B10MEN1HPGDKDM4E
SCHEMBL6983419 0.79 KDM4E (0.38) KMT2AMEN1KDM4EGSK3B
SCHEMBL706765 0.64 NR4A1 (0.42) KMT2AHSD17B10MEN1HPGDKDM4E
SCHEMBL6981777 0.63 AKR1C1 (0.41) KMT2AMEN1
SCHEMBL6978140 0.60 OPRM1 (0.49)
SCHEMBL8749496 0.59 MAPT (0.39) KMT2AHSD17B10MEN1HPGDKDM4E
SCHEMBL11608127 0.58 NR4A1 (0.46) KMT2AHSD17B10MEN1HPGDKDM4E
SCHEMBL6968252 0.58 MEN1 (0.42) KMT2AHSD17B10MEN1HPGDKDM4E
SCHEMBL28108213 0.58 SLC6A3 (0.54)
SCHEMBL28876346 0.58 F2 (0.38) KMT2AMEN1

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