SCHEMBL6233353

SCHEMBL6233353

CCCCc1ccc(Br)c(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.49
ALOX5 P09917 3/20 0.42
PTGS2 P35354 1/20 0.42
ELANE P08246 5/20 0.42
CTSG P08311 4/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRKCI P41743 1/20 0.37
CTRC Q99895 1/20 0.37
IAPP P10997 1/20 0.37
LIPG Q9Y5X9 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
SCHEMBL982811 0.87 TYR (0.59) TYRALOX5PTGS2ELANECTSG
SCHEMBL11511240 0.86 TYR (0.47) TYRALOX5PTGS2ELANECTSG
SCHEMBL5676016 0.83 TYR (0.55) TYRALOX5PTGS2ELANECTSG
SCHEMBL5678235 0.83 TYR (0.66) TYRALOX5PTGS2ELANECTSG
SCHEMBL11164405 0.82 ALOX5 (0.57) TYRALOX5PTGS2ELANECTSG
SCHEMBL5676906 0.81 TYR (0.53) TYRALOX5PTGS2ELANECTSG
SCHEMBL5677194 0.81 TYR (0.68) TYRALOX5PTGS2ELANECTSG
SCHEMBL2382145 0.79 TYR (0.61) TYRALOX5PTGS2ELANECTSG
SCHEMBL17916374 0.79 GABRA1 (0.52) MEN1CYP3A4MAPTALOX15TSHR
SCHEMBL5100091 0.78 ALOX5 (0.49) TYRALOX5PTGS2ELANECTSG

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