SCHEMBL4458742

SCHEMBL4458742

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.49
PPARG P37231 3/20 0.49
F2 P00734 2/20 0.47
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
C1S P09871 1/20 0.46
PRSS3 P35030 1/20 0.46
ACACB O00763 1/20 0.43
CTBP2 P56545 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 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
SCHEMBL482856 0.85 PPARA (0.51) PPARAPPARGACACBHTTALDH1A1
SCHEMBL4451939 0.84 PPARA (0.44) PPARAPPARGACACBCES2CES1
SCHEMBL31264426 0.82 EPHX2 (0.51) F2PLGPRSS1PRSS2C1S
SCHEMBL5320394 0.81 POLB (0.58) PPARAPPARGACACBCYP1A2CYP3A4
SCHEMBL11218545 0.80 CA2 (0.52) PPARAPPARGCYP1A2CYP3A4
SCHEMBL11218542 0.80 PPARA (0.46) PPARAPPARGACACBCTBP2CYP1A2
SCHEMBL5791802 0.79 CTBP2 (0.64) F2PLGPRSS1PRSS2C1S
SCHEMBL7502088 0.79 CYP4F2 (0.56) PPARAPPARGACACBCYP3A4CYP2C19
SCHEMBL9784096 0.79 ACACB (0.46) PPARAPPARGACACBCYP3A4CYP2C19
SCHEMBL19619634 0.79 NPC1 (0.50) PPARAPPARGACACBMAPTKMT2A

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 7 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 claimed
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 claimed
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
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
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
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