SCHEMBL4754427

SCHEMBL4754427

COCOc1ccc(CC=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
FFAR1 O14842 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPN1 P18031 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
PTGS1 P23219 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6155856 0.87 SLC22A12 (0.38) FFAR4PPARGPPARDPPARAFFAR1
SCHEMBL5978889 0.83 ALDH1A1 (0.53) PPARGPPARDPPARAALDH1A1MAPT
SCHEMBL30536212 0.82 ALDH1A1 (0.50) PPARGPPARDPPARAALDH1A1HPGD
SCHEMBL195794 0.82 ALDH1A1 (0.50) PPARGPPARDPPARAALDH1A1HPGD
SCHEMBL334185 0.79 TTR (0.41) FFAR4FFAR1ALDH1A1HPGDCRHBP
SCHEMBL31151091 0.79 CSNK2A1 (0.42) FFAR4FFAR1CRHBPCRHR2SMN1; SMN2
SCHEMBL334154 0.79 FFAR4 (0.40) FFAR4FFAR1PTPN1HPGDS1PR1
SCHEMBL4702952 0.78 FDPS (0.51) ALDH1A1HPGDMAPTTDP1SMN1; SMN2
SCHEMBL4704085 0.78 FFAR4 (0.63) FFAR4FFAR1MAPTTDP1SMN1; SMN2
SCHEMBL8717332 0.78 S1PR2 (0.41) FFAR4PPARAFFAR1ALDH1A1MAPT

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
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed