SCHEMBL8980659

SCHEMBL8980659

Cc1ccc(C(N)=O)c(O)c1C(C)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.38
ERN1 O75460 1/20 0.38
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
GRM1 Q13255 1/20 0.33
POLB P06746 1/20 0.33
CLCN2 P51788 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 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
SCHEMBL9780987 0.78 IRAK4 (0.42) NNMTSIRT3TDP1IRAK4ALDH1A1
SCHEMBL8981463 0.77 IRAK4 (0.53) TDP1IRAK4ALDH1A1MAPTMKNK1
SCHEMBL5515911 0.77 ERN1 (0.44) NNMTERN1SIRT3TDP1ALDH1A1
SCHEMBL28887386 0.76 SIRT3 (0.40) NNMTSIRT3TDP1IRAK4ALDH1A1
SCHEMBL9861386 0.75 LMNA (0.33) ALDH1A1HPGDTSHRGRM1LMNA
SCHEMBL5354600 0.75 ERN1 (0.43) NNMTERN1SIRT3TDP1ALDH1A1
SCHEMBL28078633 0.73 ERN1 (0.39) NNMTERN1IRAK4ALDH1A1HPGD
SCHEMBL23190744 0.72 IRAK4 (0.47) NNMTERN1SIRT3TDP1IRAK4
SCHEMBL27484386 0.71 SIRT3 (0.37) NNMTSIRT3TDP1IRAK4ALDH1A1
SCHEMBL3424158 0.71 ERN1 (0.54) NNMTERN1SIRT3TDP1ALDH1A1

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-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed