SCHEMBL11432241

SCHEMBL11432241

CC(Cc1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.65
PPARA Q07869 10/20 0.59
PPARG P37231 9/20 0.59
PPARD Q03181 4/20 0.57
ACACB O00763 1/20 0.55
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
NPY5R Q15761 2/20 0.52
LTA4H P09960 1/20 0.52
SRD5A2 P31213 1/20 0.51
EPHX2 P34913 1/20 0.51
TBXAS1 P24557 1/20 0.50

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
SCHEMBL682000 0.91 PPARA (0.71) FFAR1PPARAPPARGPPARDACACB
SCHEMBL14985797 0.88 ACACB (0.57) FFAR1PPARAPPARGPPARDACACB
SCHEMBL14640275 0.88 FFAR1 (0.53) FFAR1PPARAPPARGPPARDTBXAS1
SCHEMBL11439448 0.87 FFAR1 (0.54) FFAR1PPARAPPARGPPARDACACB
SCHEMBL16017642 0.85 POLB (0.51) FFAR1PPARAPPARGPPARDACACB
SCHEMBL14210014 0.84 PPARG (0.65) FFAR1PPARAPPARGPPARDLTA4H
SCHEMBL265135 0.83 CYP1A2 (0.61) FFAR1CPA1TBXAS1
SCHEMBL65930 0.83 CYP1A2 (0.61) FFAR1CPA1TBXAS1
SCHEMBL265577 0.83 CYP1A2 (0.61) FFAR1CPA1TBXAS1
SCHEMBL11237591 0.83 TBXAS1 (0.59) FFAR1MMEACETBXAS1

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-0009683-A1 Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions MERCK PATENT GmbH (DE) 1980-04-16 EP disclosed