SCHEMBL7339369

SCHEMBL7339369

CCOC(=O)Cc1ccc(COC(=O)CNc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 5/20 0.52
PKM P14618 1/20 0.49
POLB P06746 2/20 0.48
PPID Q08752 1/20 0.47
GAA P10253 1/20 0.46
KLK7 P49862 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 1/20 0.43
RAB9A P51151 1/20 0.43
PAM P19021 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7345267 0.87 MAPT (0.65) ALDH1A1MAPTPOLBPPIDGAA
SCHEMBL62893 0.85 POLB (0.60) ALDH1A1MAPK1MAPTPOLBPPID
SCHEMBL7336552 0.85 PKM (0.67) ALDH1A1L3MBTL1MAPTPKMGAA
SCHEMBL62534 0.84 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1MAPTPOLB
Hydrochloric Acid SCHEMBL133175 0.84 POLB (0.59) ALDH1A1MAPK1MAPTPOLBPPID
SCHEMBL15761774 0.83 MAPT (0.72) ALDH1A1L3MBTL1MAPTPPIDKLK7
Acetic Acid SCHEMBL28661029 0.82 POLB (0.57) ALDH1A1MAPK1MAPTPKMPOLB
Hydrochloric Acid SCHEMBL27368126 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTPOLB
Alcohol SCHEMBL28628021 0.82 POLB (0.57) ALDH1A1MAPK1MAPTPOLBPPID
SCHEMBL11732203 0.81 POLB (0.56) ALDH1A1MAPK1MAPTPOLBPPID

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed