SCHEMBL7098532

SCHEMBL7098532

COc1ccc(Oc2cccc(C(C(C)=O)C3CCCC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
MTNR1B P49286 3/20 0.45
MTNR1A P48039 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PTGS1 P23219 1/20 0.44
ACACB O00763 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A3 Q01959 2/20 0.41
PKM P14618 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL7100679 0.91 POLB (0.55) POLBMEN1KMT2AALDH1A1MAPK1
SCHEMBL7100629 0.76 SLC6A2 (0.46) POLBMEN1KMT2AALDH1A1MAPK1
SCHEMBL27807116 0.76 SLC6A3 (0.47) POLBMEN1KMT2AMAPTSLC6A3
SCHEMBL11756772 0.75 PKM (0.47) MEN1KMT2APTGS1MAPTHTT
Water SCHEMBL11756765 0.74 PKM (0.46) MEN1KMT2APTGS1MAPTHTT
SCHEMBL7103544 0.73 SLC6A2 (0.62) MEN1KMT2AMAPTHTTSLC6A3
SCHEMBL4868386 0.72 HTR2C (0.49) POLBMEN1KMT2AALDH1A1MAPK1
SCHEMBL9809565 0.72 CHRM3 (0.61) MEN1KMT2AMAPTHTTSLC6A3
SCHEMBL1566474 0.71 ALOX5 (0.51) ALDH1A1SLC6A3
SCHEMBL28787293 0.71 BCHE (0.45) SLC6A3CYP2D6

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
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed