SCHEMBL7758148

SCHEMBL7758148

O=C(CNC(=O)OCc1ccccc1)Oc1ccc(C(=O)OCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL11589991 0.88 MAPT (0.57) ATMMAPTALDH1A1GAALMNA
SCHEMBL7759657 0.87 ATM (0.55) ATMMAPTALDH1A1GAALMNA
SCHEMBL7758173 0.86 ATM (0.60) ATMMAPTALDH1A1GAALMNA
SCHEMBL10542242 0.85 GAA (0.54) MAPTALDH1A1GAAKMT2AL3MBTL1
SCHEMBL7176512 0.85 ATM (0.62) ATMMAPTALDH1A1GAALMNA
SCHEMBL10915714 0.83 ATM (0.62) ATMMAPTALDH1A1GAALMNA
SCHEMBL1171418 0.82 LMNA (0.56) ATMMAPTALDH1A1LMNAKMT2A
SCHEMBL7761464 0.81 KMT2A (0.60) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL7761543 0.80 LMNA (0.47) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL4073528 0.79 TPSAB1 (0.53) MAPTALDH1A1LMNAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001062242-A1 PRODRUGS OF SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2001-08-30 WO disclosed