SCHEMBL7362145

SCHEMBL7362145

CCc1ccccc1OCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
PTPN7 P35236 1/20 0.58
PTPN12 Q05209 1/20 0.58
PTPN22 Q9Y2R2 1/20 0.58
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
ALDH1A1 P00352 7/20 0.52
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS2 P35354 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MGLL Q99685 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL7358681 0.86 KMT2A (0.62) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL7357774 0.86 KMT2A (0.62) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL7359954 0.83 PTPN7 (0.74) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL7361663 0.83 PTPN7 (0.60) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL7357629 0.82 KMT2A (0.62) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL27542011 0.81 PTPN7 (0.67) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL11605368 0.80 PTPN7 (0.69) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL28653268 0.78 HSPB1 (0.53) KMT2ABCL9CTNNB1ALDH1A1MAPT
SCHEMBL8832170 0.77 BCL9 (0.65) KMT2APTPN7PTPN12PTPN22BCL9
SCHEMBL8832017 0.77 GAA (0.66) KMT2APTPN7PTPN12PTPN22BCL9

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-0413750-A1 RENIN INHIBITORY PEPTIDES CONTAINING A SUBSTITUTED PHENOXYACETYLE GROUP THE UPJOHN COMPANY (US) 1991-02-27 EP disclosed
WO-1989010920-A1 RENIN INHIBITORY PEPTIDES CONTAINING A SUBSTITUTED PHENOXYACETYLE GROUP THE UPJOHN COMPANY (US) 1989-11-16 WO disclosed