SCHEMBL7630490

SCHEMBL7630490

COC[C](C)OOC(=O)c1cc(OC)c(OC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 2/20 0.50
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HMGCR P04035 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
TNFSF11 O14788 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7631220 0.85 KMT2A (0.54) KMT2ACYP3A4HTTALDH1A1GAA
SCHEMBL7637023 0.82 KMT2A (0.52) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL7628462 0.82 KMT2A (0.56) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL7634304 0.81 CYP3A4 (0.58) KMT2ACYP3A4HTTALDH1A1GAA
SCHEMBL7626294 0.78 MAPT (0.57) KMT2ACYP3A4ALDH1A1GAAMAPT
SCHEMBL7628311 0.78 KMT2A (0.50) KMT2ACYP3A4GAA
SCHEMBL7630532 0.77 PKM (0.48) KMT2AALDH1A1MAPTPKMMEN1
SCHEMBL7630210 0.76 SMN1; SMN2 (0.48) KMT2AHTTMAPTPKMMEN1
SCHEMBL7631426 0.76 KMT2A (0.54) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL10497736 0.75 CYP3A4 (0.55) KMT2ACYP3A4HTTALDH1A1GAA

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed