SCHEMBL4083717

SCHEMBL4083717

CCCCCCOC1(C(=O)CCC)C=CC(c2ccccc2)C=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
S1PR5 Q9H228 2/20 0.36
CHRM2 P08172 2/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL9462288 0.89 PPARG (0.45) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL11363522 0.89 PPARG (0.45) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL4186205 0.89 PPARG (0.45) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL4184936 0.89 PPARG (0.45) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL5828433 0.89 PPARG (0.45) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL4182081 0.89 PPARG (0.45) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL9849450 0.88 PPARG (0.44) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL10580595 0.88 PPARG (0.44) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL9852394 0.86 PPARG (0.43) PPARGTSHRLMNAALDH1A1CYP3A4
SCHEMBL10903892 0.85 PPARG (0.48) PPARGTSHRLMNAALDH1A1CYP3A4

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-7550181-B2 Information recording medium DAI NIPPON PRINTING CO., LTD. (JP) 2009-06-23 US claimed