SCHEMBL4451916

SCHEMBL4451916

CCO[C@@](CC)(Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.46
PPARG P37231 12/20 0.44
PPARD Q03181 3/20 0.43
ADORA3 P0DMS8 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ACACB O00763 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 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
SCHEMBL3963055 0.82 BLM (0.50) PPARAPPARGPPARDADORA3ALDH1A1
SCHEMBL5197222 0.82 BLM (0.50) PPARAPPARGPPARDADORA3ALDH1A1
SCHEMBL5365631 0.81 PPARA (0.49) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL6396442 0.81 PPARA (0.48) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL5365344 0.80 CXCR2 (0.40) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL6387462 0.80 LMNA (0.47) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL7777170 0.80 LMNA (0.47) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL5367481 0.77 PPARA (0.41) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4459836 0.75 PPARG (0.51) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4459833 0.75 PPARG (0.51) PPARAPPARGPPARDALDH1A1LMNA

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