SCHEMBL7399276

SCHEMBL7399276

CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OC(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.54
MAPT P10636 5/20 0.51
RECQL P46063 2/20 0.51
BLM P54132 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GUSB P08236 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
THRB P10828 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
AMY1A P0DUB6 1/20 0.49

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
SCHEMBL7394125 0.86 AMY1A (0.54) HPSEMAPTALDH1A1MEN1KMT2A
SCHEMBL7397419 0.84 KDM4E (0.52) HPSEMAPTALDH1A1MEN1KMT2A
SCHEMBL7394598 0.80 MAPT (0.54) HPSEMAPTRECQLBLMTDP1
SCHEMBL7391707 0.79 GUSB (0.71) HPSEMAPTRECQLBLMTDP1
SCHEMBL7389936 0.78 KDM4E (0.62) HPSEMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7395552 0.78 PARP1 (0.59) HPSEMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7402117 0.78 KDM4E (0.61) MAPTRECQLALDH1A1MEN1KMT2A
SCHEMBL22488596 0.76 AMY1A (0.53) HPSEMAPTRECQLBLMTDP1
SCHEMBL7396331 0.76 KDM4E (0.53) MAPTALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL7400340 0.75 ALOX5 (0.59) HPSEALDH1A1GUSBTHRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132381-A1 Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them CERMOL S.A. (CH) 2001-09-12 EP claimed
WO-2001066526-A1 ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2001-09-13 WO disclosed
EP-1132381-A1 Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them CERMOL S.A. (CH) 2001-09-12 EP disclosed