SCHEMBL4349489

SCHEMBL4349489

O=C(O)CCc1cc(Br)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.44
MMP2 P08253 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 4/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3123403 0.84 MMP2 (0.39) PPARAMMP2MMP8MMP12HPGD
SCHEMBL7973696 0.84 PPARA (0.34) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL10341827 0.81 VHL (0.37) PPARAHPGDMAPTHTTHDAC6
SCHEMBL595476 0.79 PPARA (0.45) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL11661758 0.79 PPARA (0.60) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL9990153 0.78 PPARA (0.44) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL22317120 0.78 VHL (0.49) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL15740345 0.77 LMNA (0.46) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL10341846 0.76
SCHEMBL1586577 0.76 MMP2 (0.67) MMP2MMP8MMP12ALDH1A1MAPT

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed