SCHEMBL5310255

SCHEMBL5310255

CCON=C(COc1cccc(CC(=O)O)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
PLA2G4B P0C869 2/20 0.47
SRD5A2 P31213 2/20 0.42
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NR4A2 P43354 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 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
SCHEMBL5310252 1.00 FFAR1 (0.47) FFAR1PLA2G4BSRD5A2AKR1C3SMN1; SMN2
SCHEMBL5309885 0.92 PLA2G4B (0.50) FFAR1PLA2G4BSRD5A2AKR1C3SMN1; SMN2
SCHEMBL5335192 0.92 FFAR1 (0.43) FFAR1PLA2G4BSRD5A2AKR1C3ALDH1A1
SCHEMBL5335188 0.92 FFAR1 (0.43) FFAR1PLA2G4BSRD5A2AKR1C3ALDH1A1
SCHEMBL5309894 0.92 PLA2G4B (0.50) FFAR1PLA2G4BSRD5A2AKR1C3SMN1; SMN2
SCHEMBL14530611 0.92 MAOB (0.53) FFAR1PLA2G4BSRD5A2MAOBNR4A2
SCHEMBL5313553 0.92 SRD5A2 (0.49) FFAR1PLA2G4BSRD5A2AKR1C3SMN1; SMN2
SCHEMBL5313558 0.92 SRD5A2 (0.49) FFAR1PLA2G4BSRD5A2AKR1C3SMN1; SMN2
SCHEMBL5313645 0.92 MAOB (0.53) FFAR1PLA2G4BSRD5A2MAOBNR4A2
SCHEMBL5315649 0.90 LMNA (0.44) FFAR1SRD5A2AKR1C3PTGDR2ALDH1A1

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-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed