SCHEMBL8041186

SCHEMBL8041186

CC(C)OC(=O)c1ccc2ccc(C(=O)OC(C)C)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.65
CA1 P00915 6/20 0.65
CA2 P00918 6/20 0.65
CA7 P43166 6/20 0.65
CA9 Q16790 6/20 0.65
CA14 Q9ULX7 6/20 0.65
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
PTPN11 Q06124 2/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL707094 0.94 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL16687595 0.93 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL13229042 0.93 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL23997992 0.91 NPC1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL28290879 0.87 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL6653048 0.85 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL27850053 0.84 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7949384 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL701832 0.83 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL13229041 0.81 PRKCA (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635757-B1 A process for making PET photographic film base with improved curl stability EASTMAN KODAK CO (US) 2000-05-17 EP disclosed