SCHEMBL8002992

SCHEMBL8002992

CCCCOc1ccc(CCCC[C@H](CC(C)=O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.51
ALOX5 P09917 4/20 0.51
PPARG P37231 4/20 0.51
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
PPARA Q07869 1/20 0.49
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
S1PR4 O95977 2/20 0.46

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
SCHEMBL7985219 0.87 LMNA (0.54) PTGESALOX5PPARGMMP9PPARA
SCHEMBL7999764 0.87 LDHA (0.50) ALOX5MMP1MMP3ALDH1A1KMT2A
SCHEMBL8041180 0.81 PPARG (0.61) PTGESALOX5PPARGMMP3PPARA
SCHEMBL27028936 0.77 S1PR2 (0.54) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL27132568 0.77 S1PR2 (0.54) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL27301137 0.76 LTA4H (0.56) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL28588860 0.75 LMNA (0.68) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL28380845 0.75 LMNA (0.68) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL4301825 0.75 CA2 (0.57) MAPK1FFAR1
SCHEMBL7995811 0.75 LMNA (0.71) LMNAL3MBTL1MEN1USP2ALDH1A1

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-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed