SCHEMBL5680876

SCHEMBL5680876

CCCCCCCCc1cc(F)cc(CCCCCCCC)c1CCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.47
TYR P14679 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 5/20 0.42
LIPG Q9Y5X9 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL28168009 0.98 ALOX5 (0.46) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL29037315 0.80 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL250347 0.80 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1187863 0.79 GPR84 (0.51) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1186805 0.79 PTGS2 (0.44) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1186919 0.79 ALOX5 (0.43) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1186041 0.79 PTGS2 (0.44) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1187050 0.79 PTGS2 (0.44) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1187794 0.79 ALOX5 (0.43) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1188556 0.79 PTGS2 (0.44) ALOX5TYRMEN1TP53CYP3A4

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-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 WO disclosed