SCHEMBL10557331

SCHEMBL10557331

CCCCCCCCCOC(=O)C(CC)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 6/20 0.43
ESR1 P03372 1/20 0.42
DGKA P23743 1/20 0.42

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
SCHEMBL9472816 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL11540505 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL27436774 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28049877 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL20836834 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL26923158 0.94 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL26923818 0.94 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL455719 0.92 ALDH1A1 (0.50) NAAAEPHX1TSHRHCAR2NPSR1
SCHEMBL2274671 0.86 ALDH1A1 (0.56) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL10792129 0.85 FAAH (0.38) NAAAEPHX1TSHRFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed
US-4812258-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-03-14 US disclosed