SCHEMBL29950989

SCHEMBL29950989

O=CCCCCc1ccoc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
NAAA Q02083 1/20 0.41
FAAH O00519 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
DUSP3 P51452 2/20 0.39
ALOX5 P09917 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
CETP P11597 1/20 0.36
TSHR P16473 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL29952535 0.94 PTPN2 (0.40) CNR2NAAAFAAHMEN1ALDH1A1
SCHEMBL1442395 0.86
SCHEMBL1995898 0.78 ADH1B (0.41) CNR2NAAAFAAHMEN1ALDH1A1
SCHEMBL6519953 0.78 NAAA (0.44) CNR2NAAAFAAHMEN1ALDH1A1
SCHEMBL5539409 0.77 NAAA (0.39) CNR2NAAAFAAHMEN1ALDH1A1
SCHEMBL2011541 0.75
SCHEMBL981066 0.75 CETP (0.50) CNR2FAAHMEN1ALDH1A1MAPT
SCHEMBL5541953 0.75 NAAA (0.41) CNR2NAAAFAAHMEN1ALDH1A1
SCHEMBL5540163 0.75 NAAA (0.41) CNR2NAAAFAAHMEN1ALDH1A1
SCHEMBL7262869 0.74

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed