SCHEMBL8070104

SCHEMBL8070104

COC(=O)c1cccc2cc(C(=O)O)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.71
LCK P06239 1/20 0.48
PTPN11 Q06124 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE4B Q07343 1/20 0.46
SCN9A Q15858 1/20 0.46
PLA2G2D Q9UNK4 1/20 0.46
DHODH Q02127 2/20 0.45
HSD17B10 Q99714 1/20 0.44
CDC25B P30305 2/20 0.44
MAPT P10636 1/20 0.44
SLC6A3 Q01959 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 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
SCHEMBL30213808 0.90 LCK (0.58) PTPN1LCKPTPN11KDM4EALDH1A1
SCHEMBL69179 0.90 LCK (0.58) PTPN1LCKPTPN11KDM4EALDH1A1
SCHEMBL28311980 0.88 PLA2G2D (0.60) PTPN1PTPN11KDM4EALDH1A1HPGD
SCHEMBL23909525 0.86 PTPN1 (0.51) PTPN1LCKPTPN11KDM4EALDH1A1
SCHEMBL30362287 0.86 PTPN1 (0.51) PTPN1LCKPTPN11KDM4EALDH1A1
SCHEMBL23909566 0.86 PTPN1 (0.51) PTPN1LCKKDM4EALDH1A1HPGD
SCHEMBL70015 0.83 PTPN1 (1.00) PTPN1PTPN11KDM4EALDH1A1HPGD
SCHEMBL29404396 0.83 PTPN1 (1.00) PTPN1PTPN11KDM4EALDH1A1HPGD
SCHEMBL2484301 0.83 KDM4E (0.55) PTPN1KDM4EALDH1A1HPGDNPSR1
SCHEMBL30293952 0.82 PTPN1 (0.77) PTPN1PTPN11KDM4EALDH1A1HPGD

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-1030853-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2000-08-30 EP disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed