SCHEMBL6232616

SCHEMBL6232616

CCCOc1ccc(OC(=O)O)c(O)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 4/20 0.37
CA9 Q16790 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6232401 0.88 GLA (0.39) MAPTHSD17B10KDM4ELMNAL3MBTL1
SCHEMBL6258847 0.82 KMT2A (0.36) MAPTHSD17B10KDM4ETP53KMT2A
SCHEMBL6253644 0.81 GAA (0.33) TP53LMNAL3MBTL1GAAMAPK1
SCHEMBL5588577 0.80 HSD17B10 (0.40) MAPTHSD17B10KDM4ECA9CNR1
SCHEMBL6232608 0.80 ESR1 (0.39) MAPTHSD17B10KDM4ETP53KMT2A
SCHEMBL6233314 0.80 MAPT (0.41) MAPTHSD17B10KDM4ECA9LMNA
SCHEMBL5590050 0.78 PTGS1 (0.40) TP53LMNA
SCHEMBL6232138 0.78 CYP1A2 (0.49) MAPTHSD17B10KMT2ALMNAMEN1
SCHEMBL27199180 0.76 PTGDR2 (0.39) ALDH1A1GAA
SCHEMBL5590279 0.76 MAPT (0.36) MAPTHSD17B10KDM4EKMT2ALMNA

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