SCHEMBL14367117

SCHEMBL14367117

COC(=O)c1ccc(OC(=O)C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACR P10323 2/20 0.49
HGFAC Q04756 1/20 0.49
GFER P55789 1/20 0.49
PRSS1 P07477 1/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13038154 0.85 CA1 (0.84) CA1CA2CES2CES1KMT2A
SCHEMBL10599396 0.85 CA1 (0.69) CA1CA2KMT2AMAPTKDM4E
Methyl 4-Methoxybenzoate SCHEMBL231243 0.85 CA1 (1.00) CA1CA2CES2CES1KMT2A
SCHEMBL14393181 0.84 MAPT (0.50) CA1CA2KMT2AMAPTKDM4E
SCHEMBL2122107 0.81 CES2 (0.75) CA1CA2CES2CES1KMT2A
SCHEMBL16573857 0.81 CA1 (0.75) CA1CA2CES2CES1KMT2A
SCHEMBL16751100 0.81 CA1 (0.75) CA1CA2CES2CES1KMT2A
SCHEMBL16573856 0.81 CA1 (0.75) CA1CA2CES2CES1KMT2A
SCHEMBL12895907 0.81 CA1 (0.75) CA1CA2CES2CES1KMT2A
SCHEMBL2273711 0.80 CA1 (0.88) CA1CA2CES2CES1KMT2A

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
US-7288360-B2 Image recording material FUJIFILM CORPORATION (JP) 2007-10-30 US disclosed