SCHEMBL5335192

SCHEMBL5335192

CCON=C(COc1cc(CC(=O)O)cc(OCC)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
DRD4 P21917 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FABP1 P07148 2/20 0.41
AKR1C3 P42330 1/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SRD5A2 P31213 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G4B P0C869 1/20 0.39
CFTR P13569 1/20 0.38

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
SCHEMBL5335188 1.00 FFAR1 (0.43) FFAR1DRD4LMNAMAPK1L3MBTL1
SCHEMBL5315653 0.94 LMNA (0.44) FFAR1DRD4LMNAAKR1C3KDM4E
SCHEMBL5315649 0.94 LMNA (0.44) FFAR1DRD4LMNAAKR1C3KDM4E
SCHEMBL5315206 0.93 FFAR1 (0.41) FFAR1LMNAMAPK1L3MBTL1FABP1
SCHEMBL5315205 0.93 FFAR1 (0.41) FFAR1LMNAMAPK1L3MBTL1FABP1
SCHEMBL5315193 0.92 FFAR1 (0.44) FFAR1LMNAMAPK1L3MBTL1FABP1
SCHEMBL5315184 0.92 FFAR1 (0.44) FFAR1LMNAMAPK1L3MBTL1FABP1
SCHEMBL5310255 0.92 FFAR1 (0.47) FFAR1AKR1C3KDM4EALDH1A1SRD5A2
SCHEMBL5310252 0.92 FFAR1 (0.47) FFAR1AKR1C3KDM4EALDH1A1SRD5A2
SCHEMBL5313544 0.91 FFAR1 (0.42) FFAR1LMNAFABP1AKR1C3LTB4R

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