SCHEMBL5315653

SCHEMBL5315653

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
FFAR1 O14842 2/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
PGR P06401 1/20 0.40
LPAR1 Q92633 1/20 0.40
DRD4 P21917 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SRD5A2 P31213 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 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
SCHEMBL5315649 1.00 LMNA (0.44) LMNAFFAR1PKMHTTPGR
SCHEMBL5335188 0.94 FFAR1 (0.43) LMNAFFAR1DRD4AKR1C3ALDH1A1
SCHEMBL5335192 0.94 FFAR1 (0.43) LMNAFFAR1DRD4AKR1C3ALDH1A1
SCHEMBL5314705 0.91 LMNA (0.47) LMNAFFAR1PKMHTTPGR
SCHEMBL5314708 0.91 LMNA (0.47) LMNAFFAR1PKMHTTPGR
SCHEMBL5310255 0.90 FFAR1 (0.47) FFAR1HTTPTGDR2AKR1C3ALDH1A1
SCHEMBL5310252 0.90 FFAR1 (0.47) FFAR1HTTPTGDR2AKR1C3ALDH1A1
SCHEMBL5313546 0.90 FFAR1 (0.42) LMNAFFAR1AKR1C3ALDH1A1KDM4E
SCHEMBL5313544 0.90 FFAR1 (0.42) LMNAFFAR1AKR1C3ALDH1A1KDM4E
SCHEMBL5315193 0.88 FFAR1 (0.44) LMNAFFAR1AKR1C3ALDH1A1KDM4E

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