SCHEMBL27647403

SCHEMBL27647403

CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc(S(=O)(=O)O)c1.[CsH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.55
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA7 P43166 6/20 0.55
CA9 Q16790 6/20 0.55
CA14 Q9ULX7 6/20 0.55
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PTPN11 Q06124 2/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL27647413 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL27647424 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6856344 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL27647445 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL27668044 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6291905 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL10600862 0.95 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL21864695 0.92 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL12455058 0.88 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6296713 0.83 LCK (0.47) 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
CN-100480327-C Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2009-04-22 CN disclosed
CN-1910236-A Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2007-02-07 CN disclosed