SCHEMBL28083531

SCHEMBL28083531

CCCCC(Cl)OC(=O)OC(C)Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
CA1 P00915 4/20 0.36
LMNA P02545 2/20 0.36
FAAH O00519 4/20 0.36
MAPK1 P28482 1/20 0.35
CTSK P43235 4/20 0.35
SLC15A1 P46059 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7207177 0.92 CA2 (0.41) CA2CA1LMNAFAAHMAPK1
SCHEMBL28609396 0.86 FAAH (0.42) CA2CA1LMNAFAAHCNR1
SCHEMBL31112794 0.83 LMNA (0.47) CA1LMNAFAAHCNR1CNR2
SCHEMBL31112560 0.81 LMNA (0.50) CA1LMNAFAAHCNR1CNR2
SCHEMBL31112876 0.81 LMNA (0.50) CA1LMNAFAAHCNR1CNR2
SCHEMBL28662288 0.81 FAAH (0.44) CA2CA1LMNAFAAHMAPK1
SCHEMBL27617573 0.79 CA2 (0.38) CA2CA1FAAHMAPK1CTSK
SCHEMBL1463204 0.79 CHRM1 (0.39) CA2CA1LMNAFAAHCTSK
SCHEMBL11369135 0.78 ZDHHC7 (0.47) CA2CA1LMNAFAAHCNR1
SCHEMBL28005991 0.78 CA2 (0.41) CA2CA1LMNAFAAHMAPK1

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-103626765-B Substituted azaindole compounds and salt, compositions and purposes 广东东阳光药业有限公司 2016-08-10 CN disclosed