SCHEMBL8832017

SCHEMBL8832017

COc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.66
LMNA P02545 2/20 0.66
PTGS2 P35354 1/20 0.63
PTPN7 P35236 1/20 0.61
PTPN12 Q05209 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61
KMT2A Q03164 2/20 0.61
BCL9 O00512 1/20 0.60
CTNNB1 P35222 1/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 1/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL11605368 0.92 PTPN7 (0.69) GAALMNAPTGS2PTPN7PTPN12
SCHEMBL27542011 0.87 PTPN7 (0.67) LMNAPTGS2PTPN7PTPN12PTPN22
SCHEMBL8832170 0.86 BCL9 (0.65) LMNAPTGS2PTPN7PTPN12PTPN22
SCHEMBL839776 0.84 PTGS2 (0.83) PTGS2KMT2AALDH1A1MEN1POLB
SCHEMBL10311842 0.84 BCL9 (0.67) GAALMNAPTGS2PTPN7PTPN12
SCHEMBL8832283 0.83 BCL9 (0.62) LMNAPTGS2PTPN7PTPN12PTPN22
SCHEMBL7358681 0.83 KMT2A (0.62) GAALMNAPTGS2PTPN7PTPN12
SCHEMBL26083579 0.82 MEN1 (0.64) GAALMNAPTGS2KMT2AALDH1A1
SCHEMBL9363100 0.82 PTPN7 (0.64) PTGS2PTPN7PTPN12PTPN22KMT2A
SCHEMBL8832495 0.82 PTPN7 (0.57) LMNAPTGS2PTPN7PTPN12PTPN22

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 9 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
EP-0354583-B1 DC-88A derivatives KYOWA HAKKO KOGYO KK (JP) 1993-11-03 EP disclosed
US-5248692-A DC-89 derivatives as anti-tumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
US-5214065-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-05-25 US disclosed
US-5117006-A DC-88A DERIVATIVES USEFUL AS ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed
US-5084468-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-28 US disclosed
EP-0461603-A1 DC-89 derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-18 EP disclosed
EP-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed