SCHEMBL5314017

SCHEMBL5314017

CCCCS(=O)(=O)Oc1cccc(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
STS P08842 1/20 0.44
MAOA P21397 4/20 0.44
SMPD1 P17405 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5312870 0.91 MAOB (0.49) MAOBHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL10622985 0.81 MAOB (0.50) MAOBRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL29673576 0.81 MAPT (0.50) LMNARAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL22187300 0.81 MAPT (0.50) LMNARAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL28171416 0.78 ALPL (0.44) MAOBLMNAKMT2AALDH1A1
SCHEMBL11723690 0.78 TSHR (0.54) MAOBLMNAKMT2AMEN1ALDH1A1
SCHEMBL1436145 0.77 THRB (0.65) MAOBLMNAHPGDRAB9AKMT2A
SCHEMBL22187554 0.77 MAPT (0.49) LMNARAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL29673690 0.77 MAPT (0.49) LMNARAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL9000081 0.77 STS (0.53) MAOBRAB9AKMT2ASMN1; SMN2MEN1

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