SCHEMBL3266248

SCHEMBL3266248

CCCCOc1ccccc1C1C(C(=O)OCCC)=C(C)NC2=C1C(=O)CCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
HSD17B10 Q99714 5/20 0.73
HPGD P15428 3/20 0.73
CASP1 P29466 3/20 0.73
CASP7 P55210 3/20 0.73
BAP1 Q92560 1/20 0.73
KDM4E B2RXH2 9/20 0.68
TP53 P04637 1/20 0.68
POLB P06746 1/20 0.68
ALOX15 P16050 1/20 0.64
LMNA P02545 4/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL3325607 0.97 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3324986 0.97 KDM4E (0.71) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3324053 0.96 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2846713 0.92 KDM4E (0.64) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2846711 0.92 KDM4E (0.64) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3325346 0.91 KDM4E (0.66) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3320927 0.91 KDM4E (0.82) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2843210 0.90 LMNA (0.62) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3328511 0.89 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3323371 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCASP1CASP7

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
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 WO claimed