SCHEMBL5314654

SCHEMBL5314654

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.43
GCK P35557 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AKR1C3 P42330 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NSD2 O96028 1/20 0.38
PGR P06401 1/20 0.38
CETP P11597 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 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
SCHEMBL5314651 1.00 FFAR1 (0.43) FFAR1GCKLMNAALDH1A1SMN1; SMN2
SCHEMBL5313544 0.91 FFAR1 (0.42) FFAR1GCKLMNAALDH1A1SMN1; SMN2
SCHEMBL5313546 0.91 FFAR1 (0.42) FFAR1GCKLMNAALDH1A1SMN1; SMN2
SCHEMBL5314076 0.90 FFAR1 (0.38) FFAR1GCKLMNAKDM4E
SCHEMBL5314073 0.90 FFAR1 (0.38) FFAR1GCKLMNAKDM4E
SCHEMBL5314705 0.90 LMNA (0.47) FFAR1LMNAALDH1A1AKR1C3PKM
SCHEMBL5314708 0.90 LMNA (0.47) FFAR1LMNAALDH1A1AKR1C3PKM
SCHEMBL5315193 0.89 FFAR1 (0.44) FFAR1LMNAALDH1A1AKR1C3KDM4E
SCHEMBL5315184 0.89 FFAR1 (0.44) FFAR1LMNAALDH1A1AKR1C3KDM4E
SCHEMBL5312135 0.89 FFAR1 (0.41) FFAR1GCKLMNAALDH1A1SMN1; SMN2

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 2 patents. 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 claimed
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