SCHEMBL6233314

SCHEMBL6233314

COc1ccc(OC(=O)O)c(O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
PKM P14618 2/20 0.38
CA3 P07451 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TPMT P51580 1/20 0.37
PTGS2 P35354 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
SCHEMBL6232095 0.85 LMNA (0.33) MAPTTDP1MAPK1HTTLMNA
SCHEMBL27199180 0.83 PTGDR2 (0.39) TDP1CA1CA2GAARARA
SCHEMBL6232401 0.82 GLA (0.39) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL6230446 0.81 CYP2C19 (0.38) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL6234126 0.81 PTGDR2 (0.38) MAPTTDP1HSD17B10CA2PKM
SCHEMBL6232616 0.80 MAPT (0.38) MAPTKDM4EMAPK1HSD17B10CA9
SCHEMBL6234052 0.79 TPMT (0.41) MAPTTDP1KDM4EHSD17B10CA12
SCHEMBL1590794 0.77 MAPT (0.62) MAPTTDP1KDM4EMAPK1HSD17B10
SCHEMBL1054064 0.76 HIF1A (0.50) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL6253644 0.75 GAA (0.33) MAPK1TSHRGAALMNANPSR1

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 4 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 claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
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