SCHEMBL28049168

SCHEMBL28049168

C=CC(=O)OC(C)CCCCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
FAAH O00519 5/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HPGD P15428 1/20 0.36
KDM4C Q9H3R0 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL28597918 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL23494200 0.94 TSHR (0.47) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL6557557 0.94 TSHR (0.45) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL19456974 0.94 TSHR (0.45) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL2838394 0.87 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL2316134 0.87 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL10951894 0.87 TSHR (0.40) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL5072994 0.87 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL375397 0.87 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL5146586 0.87 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2

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-105647410-A Surface protective film, method for manufacturing surface protective film and optical member 日东电工株式会社 2016-06-08 CN disclosed
CN-103781628-B Method for producing an at least partially cured layer 3M INNOVATIVE PROPERTIES CO. (US) 2016-05-18 CN disclosed
CN-105585653-A Reversible CO2-cured photosensitive oligomer and application thereof UNIV BEIJING CHEMICAL TECH 2016-05-18 CN disclosed