SCHEMBL9843341

SCHEMBL9843341

c1cc(CC2CO2)ccc1CCc1ccc(CC2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GFER P55789 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALOX5 P09917 1/20 0.36
MGLL Q99685 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL131333 0.92 TDP1 (0.38) MEN1KMT2AMGLLTDP1SLC6A2
SCHEMBL4595274 0.87 LPL (0.41) MGLLTHRATHRB
SCHEMBL13990310 0.85 MGLL (0.42) ESR1ESR2MGLLTDP1SLC6A2
SCHEMBL14063010 0.85 MGLL (0.38) MGLL
SCHEMBL8781210 0.82 MEN1 (0.39) MEN1KMT2AMGLLTDP1ALDH1A1
SCHEMBL19111959 0.81 MEN1 (0.41) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL3065497 0.81 TP53 (0.39) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL1499186 0.81 MAOB (0.42) MEN1KMT2ASLC6A4ALDH1A1
SCHEMBL9089862 0.81 MEN1 (0.33) MEN1KMT2AMGLLTDP1SLC6A2
SCHEMBL13169323 0.81 TDP1 (0.32) MEN1KMT2AMGLLTDP1SLC6A2

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-0445401-A2 Polymer epoxy-networks with superstructures BAYER AG (DE) 1991-09-11 EP disclosed