SCHEMBL4456451

SCHEMBL4456451

COc1ccc(C[C@H](O)C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.73
PPARG P37231 2/20 0.57
PPARA Q07869 1/20 0.57
SLC6A4 P31645 1/20 0.52
KDM6B O15054 1/20 0.51
POLB P06746 1/20 0.50
FFAR1 O14842 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL1371092 1.00 LDHA (0.73) LDHAPPARGPPARASLC6A4KDM6B
SCHEMBL2817931 1.00 LDHA (0.73) LDHAPPARGPPARASLC6A4KDM6B
SCHEMBL8953524 1.00 LDHA (0.73) LDHAPPARGPPARASLC6A4KDM6B
SCHEMBL13742814 0.85 LDHA (0.62) LDHAPPARGPPARASLC6A4POLB
SCHEMBL490716 0.85 LDHA (1.00) LDHAPPARGPPARASLC6A4FFAR1
SCHEMBL10891346 0.84 KDM6B (0.67) LDHAKDM6BCYP1A2
SCHEMBL8591433 0.84 LDHA (0.61) LDHAPPARGPPARASLC6A4POLB
SCHEMBL12592942 0.84 LDHA (0.61) LDHAPPARGPPARASLC6A4POLB
SCHEMBL1900987 0.84 LDHA (0.61) LDHAPPARGPPARASLC6A4POLB
SCHEMBL10436394 0.83 LDHA (0.76) LDHAPPARGPPARASLC6A4POLB

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 2 patents. 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
EP-1801224-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-SUBSTITUENT-OXY-3-(4-SUBSTITUENT-OXYPHENYL)­PROPIONIC ACID DERIVATIVE Kaneka Corporation (JP) 2007-06-27 EP disclosed