SCHEMBL8832283

SCHEMBL8832283

CCCCCOc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.62
CTNNB1 P35222 1/20 0.62
MGLL Q99685 2/20 0.56
PTPN7 P35236 1/20 0.56
PTPN12 Q05209 1/20 0.56
PTPN22 Q9Y2R2 1/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 5/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
PTGS2 P35354 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PLA2G4B P0C869 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL8832170 0.92 BCL9 (0.65) BCL9CTNNB1MGLLPTPN7PTPN12
SCHEMBL27517821 0.88 MAPT (0.59) BCL9CTNNB1MGLLKMT2AMAPT
SCHEMBL11605368 0.87 PTPN7 (0.69) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL7975117 0.86 MGLL (0.62) BCL9CTNNB1MGLLKMT2AMAPT
SCHEMBL1240044 0.86 MAPT (0.63) MGLLKMT2AMAPTCRHBPCRHR2
SCHEMBL1963497 0.84 MAPT (0.62) MGLLKMT2AMAPTCRHBPCRHR2
SCHEMBL9308071 0.84 MAPT (0.62) MGLLKMT2AMAPTCRHBPCRHR2
SCHEMBL9232088 0.84 MAPT (0.62) MGLLKMT2AMAPTCRHBPCRHR2
SCHEMBL51004 0.84 MAPT (0.62) MGLLKMT2AMAPTCRHBPCRHR2
SCHEMBL8410318 0.84 MAPT (0.62) MGLLKMT2AMAPTCRHBPCRHR2

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
US-5670492-A BACTERICIDE, ANTITUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-09-23 US disclosed
EP-0702014-A1 DC-89 DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-03-20 EP disclosed