SCHEMBL5313544

SCHEMBL5313544

CCO/N=C(\COc1cc(CC(=O)O)cc(OC(C)C)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.42
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GCK P35557 1/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
AKR1C3 P42330 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CETP P11597 1/20 0.36
NSD2 O96028 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SRD5A2 P31213 1/20 0.36
FABP1 P07148 1/20 0.36

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
SCHEMBL5313546 1.00 FFAR1 (0.42) FFAR1ALDH1A1SMN1; SMN2LMNAGCK
SCHEMBL5312138 0.93 FFAR1 (0.41) FFAR1ALDH1A1SMN1; SMN2LMNAGCK
SCHEMBL5312135 0.93 FFAR1 (0.41) FFAR1ALDH1A1SMN1; SMN2LMNAGCK
SCHEMBL5335192 0.91 FFAR1 (0.43) FFAR1ALDH1A1LMNALTB4RLTB4R2
SCHEMBL5335188 0.91 FFAR1 (0.43) FFAR1ALDH1A1LMNALTB4RLTB4R2
SCHEMBL5314651 0.91 FFAR1 (0.43) FFAR1ALDH1A1SMN1; SMN2LMNAGCK
SCHEMBL5314654 0.91 FFAR1 (0.43) FFAR1ALDH1A1SMN1; SMN2LMNAGCK
SCHEMBL5316935 0.91 FFAR1 (0.37) FFAR1LMNAGCKKDM4E
SCHEMBL5315653 0.90 LMNA (0.44) FFAR1ALDH1A1LMNAAKR1C3KDM4E
SCHEMBL5315649 0.90 LMNA (0.44) FFAR1ALDH1A1LMNAAKR1C3KDM4E

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 disclosed
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