SCHEMBL8554383

SCHEMBL8554383

CC(C)(C)Oc1ccc(CC[C@H](CC(=O)O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
MMP12 P39900 5/20 0.43
MMP13 P45452 2/20 0.43
PPARG P37231 1/20 0.41
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 2/20 0.40
ACACB O00763 1/20 0.40
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL27742699 0.79 PTPN1 (0.50) PPARAPPARGACACB
SCHEMBL2789562 0.77 FFAR1 (0.59) PPARA
SCHEMBL10734883 0.76 CPA1 (0.67) MMP12MMP13CPA1CPB1CPA3
SCHEMBL9196227 0.76 CPA1 (0.67) MMP12MMP13CPA1CPB1CPA3
SCHEMBL11311301 0.76 CPA1 (0.67) MMP12MMP13CPA1CPB1CPA3
SCHEMBL17537908 0.76 GRIK1 (0.54) CPA1CPB1CPA3CPB2MMP2
SCHEMBL8556375 0.76 ALDH1A1 (0.41) CPA1CPB1CPA3CPB2ACACB
SCHEMBL7985219 0.75 LMNA (0.54) PPARAMMP13PPARGMMP9
SCHEMBL16980966 0.74 MMP12 (0.69) MMP12MMP13CPA1CPB1CPA3
SCHEMBL29478395 0.74 ACACB (0.47) PPARAPPARGACACB

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
EP-0848957-A1 Fas LIGAND SOLUBILIZATION INHIBITOR KANEBO LTD. (JP) 1998-06-24 EP disclosed