SCHEMBL5315212

SCHEMBL5315212

CC(O)c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 1/20 0.44
NPY5R Q15761 2/20 0.44
SLC2A1 P11166 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NR4A2 P43354 1/20 0.41
LMNA P02545 2/20 0.41
UGT2B7 P16662 1/20 0.41
HTT P42858 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6912472 0.88 PTGS1 (0.58) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL6912468 0.88 PTGS1 (0.58) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL1049056 0.87 PTGS1 (0.47) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL14020500 0.86 PTGS1 (0.50) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL30358285 0.86 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL9561403 0.86 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL2353755 0.86 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10547121 0.86 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL31435869 0.84 PTGS1 (0.65) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11833855 0.81 PTGS1 (0.80) PTGS1MEN1CYP2D6KMT2AALOX5

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
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed