SCHEMBL6231790

SCHEMBL6231790

CCOc1cc(O)c(O)c(C(=O)OC(C)C)c1OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA7 P43166 5/20 0.45
CA9 Q16790 5/20 0.45
CA14 Q9ULX7 5/20 0.45
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL6233829 0.86 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6235773 0.85 ESR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5588489 0.80 TSHR (0.47) TSHRLMNAHTTCYP3A4GAA
SCHEMBL6234044 0.80 NR1H2 (0.44) TSHRCYP3A4SMN1; SMN2ALDH1A1MEN1
SCHEMBL6252170 0.80 TSHR (0.42) TSHRLMNAHTTCYP3A4GAA
SCHEMBL6231510 0.78 ESR1 (0.55) TSHRLMNASMN1; SMN2MAPK1
SCHEMBL6236992 0.78 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL5590629 0.72 TSHR (0.47) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL6231787 0.72 TSHR (0.41) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL8889056 0.71 CA12 (0.64) CA12CA1CA2CA7CA9

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