SCHEMBL6234052

SCHEMBL6234052

COc1cc(OC(=O)O)c(O)c(C(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
MAPT P10636 4/20 0.39
CYP3A4 P08684 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL5587885 0.82 TPMT (0.47) TPMTMAPTCYP3A4CA12CA1
SCHEMBL6233314 0.79 MAPT (0.41) TPMTMAPTCYP3A4CA12CA1
SCHEMBL6252173 0.78 TSHR (0.42) CYP3A4ALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL6234048 0.76 CYP3A4 (0.47) TPMTMAPTCYP3A4CA12CA1
SCHEMBL6258847 0.76 KMT2A (0.36) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL6236994 0.75 TPMT (0.41) TPMTMAPTCYP3A4CA12CA1
SCHEMBL5589210 0.75 CA1 (0.33) MAPTCA1CA2TDP1TNFRSF1A
SCHEMBL6259487 0.75 THRA (0.38) TP53SMN1; SMN2
SCHEMBL5587537 0.74 LMNA (0.44) CYP3A4CA12CA1CA2CA3
SCHEMBL6233296 0.73 POLB (0.36) MAPTTDP1KDM4EPTGS2SMN1; SMN2

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