SCHEMBL4451910

SCHEMBL4451910

CCOC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)OCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.51
PPARG P37231 11/20 0.45
PPARD Q03181 8/20 0.45
ACACB O00763 1/20 0.45
EPHX2 P34913 1/20 0.42
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL5365685 0.88 PPARA (0.55) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL5361328 0.87 PPARA (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4460251 0.87 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL4460245 0.87 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL9493601 0.84 MMP8 (0.49) PPARAPPARGPPARDACACBEPHX2
SCHEMBL5360570 0.82 LMNA (0.46) PPARAPPARGPPARDEPHX2
SCHEMBL5360572 0.82 LMNA (0.46) PPARAPPARGPPARDEPHX2
SCHEMBL5360578 0.82 LMNA (0.46) PPARAPPARGPPARDEPHX2
SCHEMBL2554435 0.82 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL7023381 0.81 PPARA (0.76) PPARAPPARGPPARD

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