SCHEMBL28833769

SCHEMBL28833769

CCCCC(OC(C)=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 3/20 0.43
ALOX5 P09917 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PTGES O14684 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39

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
SCHEMBL27867020 0.86 CNR2 (0.42) CNR2PPARGPPARAALOX5PTGES
SCHEMBL4453544 0.83 LTA4H (0.47) CNR2PPARGPPARAALOX5PTGES
SCHEMBL9491739 0.82 THRB (0.43) CNR2PPARGPPARAALOX5PTGES
SCHEMBL27511180 0.81 ALDH1A1 (0.42) PPARGPPARAMTNR1AMTNR1BTDP1
SCHEMBL13763464 0.81 LMNA (0.41) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL28377689 0.80 MEN1 (0.49) CNR2TDP1ALDH1A1CA2CYP3A4
SCHEMBL10431848 0.79 MTNR1A (0.45) PPARGPPARAMTNR1AMTNR1BALDH1A1
SCHEMBL8040122 0.79 THRB (0.45) CNR2PPARGPPARAALOX5TDP1
SCHEMBL2216124 0.78 NSD2 (0.50) CNR2
SCHEMBL21075852 0.78 LTA4H (0.43) CNR2PPARGPPARAALOX5PTGES

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
CN-114867350-A Low volatility polyamine salts of anionic pesticides 巴斯夫公司 2022-08-05 CN disclosed