SCHEMBL13400583

SCHEMBL13400583

C=C(C)C(=O)OCCOC(=O)CCc1cc(-n2n3c4ccc(C(=O)NC)cc4n23)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RIPK1 Q13546 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL12445252 0.91 ALOX5 (0.35) GAAHTTALDH1A1LMNAAGTR1
SCHEMBL13159288 0.91 ALOX5 (0.35) GAAHTTALDH1A1LMNAAGTR1
SCHEMBL812966 0.90 GAA (0.35) GAAHTTALDH1A1LMNAAGTR1
SCHEMBL13159315 0.90 GAA (0.35) GAAHTTALDH1A1LMNAAGTR1
SCHEMBL813245 0.86 GAA (0.35) GAAHTTALDH1A1LMNAAGTR1
SCHEMBL13159262 0.86 GAA (0.35) GAAHTTALDH1A1LMNAAGTR1
SCHEMBL812980 0.85 ALOX5 (0.34) GAAHTTALOX5KMT2AMEN1
SCHEMBL13159301 0.85 ALOX5 (0.34) GAAHTTALOX5KMT2AMEN1
SCHEMBL813002 0.82 APP (0.38) HTTLMNARIPK1RIPK3ALOX5
SCHEMBL13159311 0.82 APP (0.38) HTTLMNARIPK1RIPK3ALOX5

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
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
Send feedback