SCHEMBL9256510

SCHEMBL9256510

CCOC(=O)C(C)(CC(C)C=O)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.53
PKM P14618 3/20 0.41
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL4426319 0.80 MMP8 (0.76) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL12963375 0.75 PKM (0.58) MMP8PKMALDH1A1KDM4EMEN1
SCHEMBL8158730 0.74 MMP8 (0.53) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL6883494 0.74 CYP4F2 (0.37) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL1036163 0.73 PKM (0.50) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL996813 0.73 MMP8 (0.71) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL7512223 0.71 MMP8 (0.52) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL17035645 0.70 MMP8 (0.53) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL334816 0.69 MMP8 (0.56) MMP8PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL13662635 0.69 PKM (0.43) MMP8PKMCYP4F2CYP4A11ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463085-A Synthesis method of physiologically active delta-lactone NITTO DENKO CORPORATION (JP) 1995-10-31 US claimed
JP-6345751-A None JP disclosed
US-5463085-A Synthesis method of physiologically active delta-lactone NITTO DENKO CORPORATION (JP) 1995-10-31 US disclosed
JP-H06345751-A SYNTHESIS OF BIOACTIVE DELTA-LACTONE NITTO DENKO CORP 1994-12-20 JP disclosed