SCHEMBL8980587

SCHEMBL8980587

Cc1cccc(C(=O)NCCO)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 1/20 0.55
ALOX5 P09917 1/20 0.51
MAPT P10636 3/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.49
PLAU P00749 2/20 0.48
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
KLK1 P06870 1/20 0.48
KLK5 Q9Y337 1/20 0.48

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
SCHEMBL18646228 0.86 HPGD (0.55) ALDH1A1HPGDKDM4EHSD17B10ALOX5
SCHEMBL5221046 0.86 HPGD (0.64) ALDH1A1HPGDKDM4EMAPTCASP1
SCHEMBL3923471 0.82 ALOX5 (0.74) ALDH1A1HPGDKDM4EHSD17B10ALOX5
SCHEMBL13477779 0.82 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHSD17B10ALOX5
SCHEMBL17689161 0.82 HPGD (0.56) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL16771620 0.81 ALOX5 (0.62) ALDH1A1HPGDKDM4EHSD17B10ALOX5
SCHEMBL23773211 0.81 HTT (0.55) ALDH1A1HPGDKDM4EHSD17B10ALOX5
SCHEMBL9494355 0.80 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL12260924 0.79 MMP2 (0.55) ALDH1A1HPGDKDM4EHSD17B10ALOX5
SCHEMBL8894839 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTCASP1CASP7

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