SCHEMBL8327445

SCHEMBL8327445

CCOC(=O)C(Cc1cc(OC)ccc1Cl)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
CTSD P07339 1/20 0.40
LDHA P00338 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
PRNP P04156 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
SCHEMBL9091264 0.85 LDHA (0.56) ALDH1A1TSHRTDP1KDM4EHSD17B10
SCHEMBL27321194 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL490808 0.84 HSD17B10 (0.55) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL3776630 0.82 CYP3A4 (0.46) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL491054 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL3610075 0.79 MAPT (0.49) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL8651065 0.78 HSD17B10 (0.51) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL2673394 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1LMNASMN1; SMN2
SCHEMBL3761927 0.76 L3MBTL1 (0.54) ALDH1A1L3MBTL1TDP1KDM4EHSD17B10
SCHEMBL17049174 0.76 MAPT (0.55) ALDH1A1L3MBTL1TSHRTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1050839-C Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 2000-03-29 CN disclosed
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
CN-1106007-A Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed