SCHEMBL17640943

SCHEMBL17640943

CCCOCC(C)COC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.35
HCAR2 Q8TDS4 1/20 0.34
USP2 O75604 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
PLA2G2C Q5R387 3/20 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
SCHEMBL319704 0.82 MAPT (0.39) MAPTCYP2C19ALDH1A1
SCHEMBL13380868 0.80 HSD17B10 (0.62) HSD17B10TDP1USP2CYP3A4HTT
SCHEMBL12434699 0.78 TSHR (0.56) HSD17B10TDP1HTTALDH1A1ALOX15
SCHEMBL4442774 0.77 TSHR (0.42) TDP1MAPTCYP3A4
SCHEMBL27544332 0.77 LMNA (0.63) TDP1MAPTLMNAALDH1A1
SCHEMBL2228690 0.76
SCHEMBL27507423 0.74 ACE2 (0.52) HSD17B10TDP1MAPTUSP2CYP1A2
Fluoride SCHEMBL28370581 0.74 MAPT (0.52) MAPTALDH1A1
SCHEMBL28647763 0.73 ACE2 (0.46) TDP1MAPTCYP3A4ALDH1A1
SCHEMBL14528308 0.73 HSD17B10 (0.54) HSD17B10TDP1USP2HTT

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-2016046178-A1 SILICONE COMPOUNDS AND COMPOSITIONS THEREOF FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2016-03-31 WO disclosed