SCHEMBL8718148

SCHEMBL8718148

COC(=O)c1cccc(N)c1OC(=O)c1ccc(N)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 4/20 0.48
HSD17B10 Q99714 2/20 0.48
CFTR P13569 1/20 0.48
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.43
CHEK1 O14757 1/20 0.42
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CRBN Q96SW2 1/20 0.41
ABL1 P00519 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL224165 0.83 ALDH1A1 (0.71) ALDH1A1GAAHSD17B10CFTRKDM4E
Hydrochloric Acid SCHEMBL7410231 0.82 ALDH1A1 (0.69) ALDH1A1GAAHSD17B10CFTRKDM4E
Potassium Ion SCHEMBL28870541 0.80 ALDH1A1 (0.67) ALDH1A1GAAHSD17B10CFTRKDM4E
SCHEMBL8718150 0.77 ALDH1A1 (0.72) ALDH1A1GAAHSD17B10KDM4EPOLB
SCHEMBL30249128 0.77 ALDH1A1 (0.67) ALDH1A1GAAHSD17B10CFTRKDM4E
SCHEMBL177123 0.77 ALDH1A1 (0.67) ALDH1A1GAAHSD17B10CFTRKDM4E
SCHEMBL31321291 0.75 GAA (0.58) ALDH1A1GAAHSD17B10CFTRKDM4E
SCHEMBL8720351 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EPOLBMAPT
SCHEMBL3133724 0.74 CHEK1 (0.52) ALDH1A1GAAHSD17B10CFTRKDM4E
SCHEMBL15055753 0.73 GAA (0.60) ALDH1A1GAAHSD17B10CFTRKDM4E

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
EP-0873444-A1 ENZYMATIC METHOD FOR TEXTILE DYEING Novo Nordisk Biochem North America (US) 1998-10-28 EP disclosed
WO-1997023685-A1 ENZYMATIC METHOD FOR TEXTILE DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed