SCHEMBL5454749

SCHEMBL5454749

CC(C)(C)c1cc(CC(CCSCCC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(C(C)(C)C)c1O.CCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.44
ALOX5 P09917 4/20 0.44
PPARG P37231 4/20 0.44
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR2 P34972 4/20 0.38
P2RY10 O00398 2/20 0.37
CNR1 P21554 2/20 0.36
PLA2G4B P0C869 1/20 0.35
HMGCR P04035 1/20 0.35
PPARA Q07869 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL5076172 0.93 PTGES (0.45) PTGESALOX5PPARGGAAKMT2A
SCHEMBL30982225 0.93 PTGES (0.45) PTGESALOX5PPARGGAAKMT2A
SCHEMBL11413683 0.92 PPARG (0.41) PTGESALOX5PPARGGAAKMT2A
SCHEMBL18837623 0.86 GAA (0.47) GAAKMT2ACNR2CNR1PLA2G4B
SCHEMBL1263764 0.85 PPARG (0.42) PTGESALOX5PPARGGAAKMT2A
SCHEMBL18837626 0.84 GAA (0.47) ALOX5GAAKMT2ACNR2CNR1
SCHEMBL18837621 0.84 GAA (0.47) ALOX5GAAKMT2ACNR2CNR1
SCHEMBL25227497 0.84 GAA (0.53) GAAKMT2ACNR2CNR1THRA
SCHEMBL284357 0.84 GAA (0.53) GAAKMT2ACNR2CNR1THRA
Octane SCHEMBL21828749 0.84 GAA (0.53) GAAKMT2ACNR2CNR1THRA

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-20070179068-A1 LUBRICATING OIL COMPOSITION FOR AUTOMATIC TRANSMISSIONS CHEVRON JAPAN LTD. 2007-08-02 US disclosed