SCHEMBL29923901

SCHEMBL29923901

CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)O.[Na]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
FAAH O00519 5/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL8408859 0.98 RECQL (0.54) RECQLFAAHCNR1CNR2EPHX2
SCHEMBL20773925 0.97 RECQL (0.52) RECQLFAAHCNR1CNR2EPHX2
SCHEMBL2437880 0.97 RECQL (0.52) RECQLFAAHCNR1CNR2EPHX2
SCHEMBL6128361 0.95 RECQL (0.51) RECQLFAAHCNR1CNR2EPHX2
SCHEMBL6121600 0.94 FAAH (0.50) RECQLFAAHCNR1CNR2TP53
SCHEMBL10172884 0.93 FAAH (0.52) RECQLFAAHCNR1CNR2TP53
SCHEMBL19874781 0.93 FAAH (0.52) RECQLFAAHCNR1CNR2TP53
SCHEMBL11360975 0.91 FAAH (0.51) RECQLFAAHCNR1CNR2TP53
SCHEMBL27962924 0.91 FAAH (0.51) RECQLFAAHCNR1CNR2TP53
SCHEMBL6128388 0.89 RECQL (0.46) RECQLFAAHCNR1CNR2TP53

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
CN-113226389-B Medical device with drug eluting coating on modified device surface 乐通公司 2022-11-08 CN disclosed