SCHEMBL8799063

SCHEMBL8799063

CCOC(=O)C(CCC(N)C(=O)OC(C)(C)C)(OCCCc1ccccc1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
LMNA P02545 1/20 0.40
GRIK1 P39086 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.38
ALOX5 P09917 1/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL8803290 0.94 LTA4H (0.46) LTA4HSMN1; SMN2MMP1MMP3MMP9
SCHEMBL8329546 0.88 LTA4H (0.52) LTA4HLMNASMN1; SMN2MMP8
SCHEMBL8800118 0.83 FKBP1A (0.37) LMNA
SCHEMBL8800131 0.82 CYP4F2 (0.38) LTA4HGRIK1CTSK
SCHEMBL8798260 0.82 LTA4H (0.38) LTA4HSMN1; SMN2
SCHEMBL8799066 0.81 LMNA (0.39) LTA4HLMNAGRIK1SMN1; SMN2MMP1
SCHEMBL8633545 0.80 SLC7A5 (0.43) LTA4HLMNASMN1; SMN2MMP8
SCHEMBL15989154 0.80 GRIK1 (0.55) LTA4HLMNAGRIK1MMP1MMP3
SCHEMBL7077555 0.80 GRIK1 (0.55) LTA4HLMNAGRIK1MMP1MMP3
SCHEMBL8799950 0.79 ALDH1A1 (0.38) LTA4HSMN1; SMN2CTSKCTSS

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
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed