SCHEMBL27409331

SCHEMBL27409331

CC(=O)c1c(O)ccc(C(=O)c2ccccc2)c1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
CYP2D6 P10635 1/20 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
SCHEMBL29557032 0.89 GAA (0.56) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL78196 0.89 GAA (0.56) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL27617414 0.86 AKR1C3 (0.57) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL27925528 0.82 MAPT (0.64) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL93423 0.80 HDAC1 (0.66) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL27811794 0.80 HDAC1 (0.66) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL29366285 0.80 HDAC1 (0.66) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL9312650 0.79 THRB (0.54) MAPTKDM4EMAPK1ALOX15GAA
SCHEMBL5069965 0.79 MAPT (0.69) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL30496602 0.79 ALDH1A1 (0.50) MAPTKDM4EMAPK1HSD17B10ALOX15

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-1102889-A Photothermographic elements MINNESOTA MINING & MFG (US) 1995-05-24 CN disclosed