SCHEMBL9716377

SCHEMBL9716377

CCCCCCCCCCCCCCC(C(=O)O)c1ccccc1OCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.50
CYSLTR2 Q9NS75 4/20 0.48
CYSLTR1 Q9Y271 4/20 0.48
PPARA Q07869 4/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PRSS1 P07477 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
SCHEMBL9620172 1.00 PPARG (0.50) PPARGCYSLTR2CYSLTR1PPARAPTGES
SCHEMBL9620361 1.00 PPARG (0.50) PPARGCYSLTR2CYSLTR1PPARAPTGES
SCHEMBL27572433 0.92 PPARG (0.52) PPARGCYSLTR2CYSLTR1PPARAPTGES
SCHEMBL15549044 0.83 KDM4E (0.57) PPARGCYSLTR2CYSLTR1PPARAMEN1
SCHEMBL8669210 0.79 CYSLTR2 (0.49) PPARGCYSLTR2CYSLTR1PPARAALDH1A1
SCHEMBL8663792 0.79 BID (0.47) PPARGCYSLTR2CYSLTR1PPARAMEN1
SCHEMBL8669192 0.79 BID (0.47) PPARGCYSLTR2CYSLTR1PPARAMEN1
SCHEMBL20564521 0.79 CYSLTR2 (0.51) PPARGCYSLTR2CYSLTR1PPARAMAPT
SCHEMBL20564046 0.79 CYSLTR2 (0.51) PPARGCYSLTR2CYSLTR1PPARAMAPT
SCHEMBL8667617 0.79 BID (0.47) PPARGCYSLTR2CYSLTR1PPARAMEN1

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-5118583-A Storage stability MITSUBISHI PAPER MILLS LIMITED (JP) 1992-06-02 US disclosed