SCHEMBL3785482

SCHEMBL3785482

[CH2]COc1ccc(C2=CCCc3cc(OC)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.55
ELANE P08246 1/20 0.44
CYP3A4 P08684 5/20 0.41
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP11B2 P19099 4/20 0.40
ABCB1 P08183 1/20 0.39
CYP17A1 P05093 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
METAP1 P53582 1/20 0.38
CYP11B1 P15538 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4802603 0.87 MPO (0.60) MPOELANECYP3A4CYP11B2ABCB1
SCHEMBL14267917 0.83 MPO (0.56) MPOELANECYP3A4CYP11B2ABCB1
SCHEMBL23297253 0.83 MPO (0.50) MPOELANEEBPSIGMAR1MAPT
SCHEMBL6858889 0.82 MPO (0.57) MPOELANECYP3A4EBPSIGMAR1
SCHEMBL114809 0.80 EBP (0.65) MPOEBPSIGMAR1ABCB1
SCHEMBL7633335 0.79 MPO (0.51) MPOELANECYP3A4CYP11B2ABCB1
SCHEMBL115122 0.78 EBP (0.47) MPOEBPSIGMAR1KDM4EALDH1A1
SCHEMBL8309725 0.77 ESR1 (0.52) MPOELANECYP3A4CYP11B2CYP17A1
SCHEMBL7633012 0.76 MPO (0.54) MPOELANEABCB1ALDH1A1MAPT
SCHEMBL8310384 0.75 BACE1 (0.49) MPOELANECYP3A4CYP11B2CYP17A1

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-2010125578-A2 A PROCESS FOR THE PREPARATION OF LASOFOXIFENE TARTRATE GLENMARK GENERICS LIMITED (IN) 2010-11-04 WO disclosed