SCHEMBL5076172

SCHEMBL5076172

CC(C)(C)c1cc(CCC(=O)OCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCCCCCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.45
ALOX5 P09917 4/20 0.45
PPARG P37231 4/20 0.45
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR2 P34972 4/20 0.41
P2RY10 O00398 2/20 0.40
HMGCR P04035 1/20 0.38
CNR1 P21554 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
NOD1 Q9Y239 1/20 0.37
DGKA P23743 1/20 0.37

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
SCHEMBL5454749 0.93 PTGES (0.44) PTGESALOX5PPARGGAAKMT2A
SCHEMBL11413683 0.90 PPARG (0.41) PTGESALOX5PPARGGAAKMT2A
SCHEMBL28059367 0.88 PTGES (0.37) PTGESALOX5PPARGGAAKMT2A
SCHEMBL13899816 0.88 GAA (0.53) GAAKMT2ACNR2CNR1THRA
SCHEMBL208070 0.88 GAA (0.53) GAAKMT2ACNR2CNR1THRA
SCHEMBL25227497 0.88 GAA (0.53) GAAKMT2ACNR2CNR1THRA
SCHEMBL284357 0.88 GAA (0.53) GAAKMT2ACNR2CNR1THRA
SCHEMBL17491243 0.88 GAA (0.53) GAAKMT2ACNR2CNR1THRA
Octane SCHEMBL21828749 0.88 GAA (0.53) GAAKMT2ACNR2CNR1THRA
SCHEMBL2050437 0.88 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
EP-1401940-B1 POLYACETAL MOLDED ARTICLES STABILIZED AGAINST DISCOLORATION CIBA HOLDING INC (CH) 2008-08-13 EP disclosed