SCHEMBL27318809

SCHEMBL27318809

CCC(=O)CC.Oc1ccc(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
IAPP P10997 6/20 0.52
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKCI P41743 1/20 0.39
HDAC1 Q13547 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 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
Pyrogallol SCHEMBL28181060 0.85 IAPP (0.63) TDP1IAPPKDM4EALDH1A1MAPT
SCHEMBL28467454 0.84 IAPP (0.49) IAPPSELLSELPPRKCI
Butanone SCHEMBL27852375 0.84 ALDH1A1 (0.53) TDP1IAPPSELLSELPKDM4E
Hydroquinone SCHEMBL28200844 0.78 TDP1 (0.59) TDP1KDM4EALDH1A1MAPTHPGD
Acetone SCHEMBL28847116 0.77 SELL (0.55) TDP1IAPPSELLSELPKDM4E
SCHEMBL2986601 0.77 HSP90AB1 (0.57) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL6248841 0.75 TYR (0.50) IAPPALDH1A1MAPTALOX15HSD17B10
SCHEMBL2475390 0.74 GABRA1 (0.56) PRKCIGABRA1GABRB2
SCHEMBL29719025 0.74 GABRA1 (0.56) PRKCIGABRA1GABRB2
Propionaldehyde SCHEMBL27318810 0.74 ALDH1A1 (0.47) TDP1IAPPSELLSELPKDM4E

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-1047472-C Solid state electrochemical cell containing a proton-donating aromatic compound ELECTRO CHEM RES (IL) 1999-12-15 CN claimed
CN-1047472-C Solid state electrochemical cell containing a proton-donating aromatic compound ELECTRO CHEM RES (IL) 1999-12-15 CN disclosed