SCHEMBL6231787

SCHEMBL6231787

CCOc1cc(O)c(O)c(C(C)C)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TUBB1 Q9H4B7 1/20 0.39
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BCL2L2 Q92843 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6233828 0.83 BCL2 (0.35) BCL2BCL2L1MCL1BCL2L2HTT
SCHEMBL6235771 0.82 ESR1 (0.40) BCL2BCL2L1MCL1BCL2L2ALDH1A1
SCHEMBL5590629 0.80 TSHR (0.47) TSHRTUBB1HTTLMNAALDH1A1
SCHEMBL6231795 0.79 TSHR (0.42) TSHRHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL5586599 0.77 MAPT (0.32) TSHRLMNAGABRA1GABRB2MAPT
SCHEMBL28625199 0.74 TSHR (0.48) TSHRTUBB1HTTLMNAALDH1A1
SCHEMBL16575407 0.74 TSHR (0.40) TSHRHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL6236991 0.73 MAPT (0.47) TUBB1BCL2BCL2L1MCL1BCL2L2
SCHEMBL6252167 0.72 TSHR (0.41) TSHRTUBB1HTTLMNAALDH1A1
SCHEMBL6234043 0.72 ALOX5 (0.49) TSHRTUBB1HTTLMNAALDH1A1

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