SCHEMBL4460123

SCHEMBL4460123

CO[C@@](C)(Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.56
PPARG P37231 9/20 0.56
PPARD Q03181 3/20 0.41
PTPN1 P18031 1/20 0.41
NR4A2 P43354 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 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
SCHEMBL4455249 0.87 PPARG (0.51) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL3272549 0.81 PPARG (0.59) PPARAPPARGPTPN1CYP1A2CYP3A4
SCHEMBL3272547 0.81 PPARG (0.59) PPARAPPARGPTPN1CYP1A2CYP3A4
SCHEMBL4459836 0.80 PPARG (0.51) PPARAPPARGPPARDMEN1CYP1A2
SCHEMBL4459833 0.80 PPARG (0.51) PPARAPPARGPPARDMEN1CYP1A2
SCHEMBL5322591 0.75 PPARG (0.79) PPARAPPARGPPARDPTPN1
SCHEMBL482856 0.74 PPARA (0.51) PPARAPPARGACACBRXRARXRB
SCHEMBL5102882 0.73 PPARG (0.76) PPARAPPARGPPARDPTPN1CYP1A2
SCHEMBL27686639 0.73 SMN1; SMN2 (0.46) PPARAPPARGPPARDPTPN1MEN1
SCHEMBL4451916 0.73 PPARA (0.46) PPARAPPARGPPARDMEN1CYP1A2

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