SCHEMBL6232082

SCHEMBL6232082

CCCc1c(O)c(OC(=O)O)cc(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
AKR1B1 P15121 5/20 0.36
ERN1 O75460 1/20 0.36
ESR1 P03372 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NCEH1 Q6PIU2 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL6252640 0.91 ALOX5 (0.38) TSHRHSD17B10AKR1B1ERN1ESR1
SCHEMBL5587163 0.89 TSHR (0.37) TSHRHSD17B10LDHALDHBESR1
SCHEMBL5588666 0.81 ALOX5 (0.39) TSHRHSD17B10ESR1MEN1HTT
SCHEMBL5587186 0.80 LDHA (0.37) LDHALDHBESR1CYSLTR2CYSLTR1
SCHEMBL6232644 0.80 LMNA (0.36) LDHALDHBNCEH1CYSLTR2CYSLTR1
SCHEMBL5587951 0.80 TSHR (0.39) TSHRHSD17B10AKR1B1ERN1ESR1
SCHEMBL5590022 0.79 ALOX5 (0.44) ESR1ALOX5
SCHEMBL5586937 0.78 ALOX5 (0.47) ESR1ALOX5
SCHEMBL5588488 0.78 ALOX5 (0.47) ESR1ALOX5
SCHEMBL5588340 0.78 ALOX5 (0.47) ESR1ALOX5

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