SCHEMBL18019255

SCHEMBL18019255

C=CC(=O)OC(C)CCC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 9/20 0.40
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 2/20 0.32
MGLL Q99685 2/20 0.32
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28245027 0.88 TSHR (0.39) LMNATSHRFAAHMGLLALDH1A1
SCHEMBL5485998 0.87 TSHR (0.41) TSHRTDP1FAAHMGLLALDH1A1
SCHEMBL12112394 0.86 TSHR (0.41) LMNATSHRMAPTFAAHALDH1A1
SCHEMBL672062 0.82 TSHR (0.50) TSHRHCAR2TDP1FAAHALDH1A1
SCHEMBL12715226 0.81 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3748335 0.81 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5486001 0.79 TSHR (0.41) LMNATSHRMAPTTDP1FAAH
SCHEMBL28244507 0.79 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28245102 0.78 TSHR (0.37) LMNATSHRMAPTFAAHMGLL
SCHEMBL552060 0.77 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4

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-2016131001-A1 PROCESS AND SYSTEM FOR PRODUCTION OF POLYPROPIOLACTONE NOVOMER INC. (US) 2016-08-18 WO disclosed