SCHEMBL6232540

SCHEMBL6232540

CC(C)(C)c1c(O)c(O)cc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.44
TSHR P16473 9/20 0.44
HPGD P15428 8/20 0.44
CYP3A4 P08684 5/20 0.44
HSP90AA1 P07900 2/20 0.44
CASP1 P29466 1/20 0.42
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 6/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALOX15 P16050 4/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
TP53 P04637 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
SCHEMBL23542368 0.83 HSD17B10 (0.39) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL11699334 0.81 SMN1; SMN2 (0.50) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL25008862 0.80 HSD17B10 (0.52) HSD17B10TSHRHPGDCYP3A4HSP90AA1
Bicarbonate SCHEMBL11803028 0.78 HPGD (0.45) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL14131044 0.76 CYP3A4 (0.47) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL25015441 0.75 HSD17B10 (0.41) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL5587548 0.73 ALDH1A1 (0.37) HSD17B10TSHRHPGDCYP3A4CASP1
SCHEMBL11215289 0.72 HSD17B10 (0.43) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL6232547 0.71 AKR1B1 (0.38) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL24806431 0.71 CYP3A4 (0.52) HSD17B10TSHRHPGDCYP3A4HSP90AA1

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