SCHEMBL8928199

SCHEMBL8928199

c1cc(CC2CO2)c(CC2CO2)c(N(CC2CO2)CC2CO2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL6436617 0.85 KDM4E (0.38) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL31544651 0.85 KDM4E (0.38) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL16969143 0.84 KDM4E (0.34) KDM4ELMNA
SCHEMBL412529 0.83 KDM4E (0.35) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL28624055 0.82 ALDH1A1 (0.33) KDM4EALDH1A1TP53CYP3A4TSHR
SCHEMBL2778676 0.80 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL30015922 0.77 LMNA (0.43) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL6230504 0.77 LMNA (0.43) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL29703193 0.76 KDM4E (0.38) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL625141 0.76 KDM4E (0.38) KDM4ELMNAALDH1A1TP53CYP3A4

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-0495269-B1 Thermosetting reactive resin mixture, moulded article and coating made therefrom DAINIPPON INK & CHEMICALS (JP) 1997-03-05 EP claimed