SCHEMBL9523759

SCHEMBL9523759

COc1ccc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.69
CYP19A1 P11511 1/20 0.69
KDM4E B2RXH2 3/20 0.64
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MMP1 P03956 1/20 0.58
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
TLR9 Q9NR96 1/20 0.55
KRAS P01116 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ATM Q13315 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 3/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL9523755 1.00 PTGS2 (0.69) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9525625 0.92 PTGS2 (0.64) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9525619 0.92 PTGS2 (0.64) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9522627 0.90 CYP19A1 (0.55) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9522624 0.90 CYP19A1 (0.55) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL30839393 0.90 MAPT (0.66) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL1597196 0.90 MAPT (0.66) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9059249 0.88 PTGS2 (0.60) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9524117 0.88 KRAS (0.72) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9524111 0.88 KRAS (0.72) PTGS2CYP19A1KDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354583-B1 DC-88A derivatives KYOWA HAKKO KOGYO KK (JP) 1993-11-03 EP 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-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed