SCHEMBL6232397

SCHEMBL6232397

CCOc1ccc(O)c(O)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
RECQL P46063 2/20 0.37
CALM1 P0DP23 2/20 0.37
ALOX5 P09917 1/20 0.37
TOP2A P11388 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 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
SCHEMBL1134726 0.87 ESR1 (0.44) ESR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6232608 0.86 ESR1 (0.39) ESR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1054064 0.79 HIF1A (0.50) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL6232401 0.78 GLA (0.39) ALDH1A1HSD17B10KDM4EMAPTALOX15
SCHEMBL8042700 0.78 MAPT (0.45) KMT2AHSD17B10KDM4EMAPTALOX15
SCHEMBL230235 0.78 ALDH1A1 (0.47) ESR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL25235901 0.78 MAPT (0.42) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL6252167 0.75 TSHR (0.41) ESR1ALDH1A1MEN1KMT2ATUBB1
SCHEMBL5588485 0.75 ESR1 (0.46) ESR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19442938 0.74 ESR1 (0.43) ESR1ALDH1A1MEN1KMT2APDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed