SCHEMBL4459833

SCHEMBL4459833

CC(C)(C)Oc1ccc(CC(C)(O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.51
PPARA Q07869 7/20 0.51
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ACACB O00763 1/20 0.42
BLM P54132 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TBXAS1 P24557 2/20 0.40
PPARD Q03181 1/20 0.40
ELANE P08246 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
SCHEMBL4459836 1.00 PPARG (0.51) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL3739737 0.84 LDHA (0.51) PPARGPPARAMEN1KMT2A
SCHEMBL7676911 0.84 LDHA (0.51) PPARGPPARAMEN1KMT2A
SCHEMBL4460123 0.80 PPARA (0.56) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL13809480 0.78 BLM (0.65) MEN1CYP1A2CYP3A4MAPTKMT2A
SCHEMBL2164933 0.78 PPARG (0.58) PPARGPPARAMEN1CYP1A2MAPT
SCHEMBL2164934 0.78 PPARG (0.58) PPARGPPARAMEN1CYP1A2MAPT
SCHEMBL1275761 0.77 SMN1; SMN2 (0.55) PPARGPPARACYP1A2CYP3A4CYP2D6
SCHEMBL3361395 0.77 SMN1; SMN2 (0.55) PPARGPPARACYP1A2CYP3A4CYP2D6
SCHEMBL180161 0.77 SMN1; SMN2 (0.55) PPARGPPARACYP1A2CYP3A4CYP2D6

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-20090029429-A1 Process for Producing Optically Active 2-Substituent-Oxy-3-(4-Substituent-Oxyphenyl) Propionic Acid Derivative KANEKA CORPORATION (JP) 2009-01-29 US disclosed