SCHEMBL8588666

SCHEMBL8588666

CC(C)OC(=O)c1cc(N)cc(C(=O)OC(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.62
CA1 P00915 6/20 0.62
CA2 P00918 6/20 0.62
CA7 P43166 6/20 0.62
CA9 Q16790 6/20 0.62
CA14 Q9ULX7 6/20 0.62
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PTPN11 Q06124 2/20 0.43
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
ELANE P08246 1/20 0.42
ALDH1A1 P00352 5/20 0.41

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
SCHEMBL867390 0.96 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL16606258 0.89 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL11651683 0.87 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL15054077 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL8930000 0.81 ELANE (0.56) CA12CA1CA2CA7CA9
SCHEMBL23066461 0.81 CA12 (0.92) CA12CA1CA2CA7CA9
SCHEMBL27638597 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL5839605 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL12023350 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL9064984 0.80 CA12 (0.63) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10251211-A None JP disclosed
JP-H10251211-A PRODUCTION OF DIALKYL AMINOPHTHALATES NISSAN CHEM IND LTD 1998-09-22 JP disclosed