SCHEMBL8038701

SCHEMBL8038701

CCC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)CC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PTGS2 P35354 2/20 0.49
GLO1 Q04760 1/20 0.47
APP P05067 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.46
MAOB P27338 2/20 0.46
CES1 P23141 1/20 0.46
MAOA P21397 1/20 0.45
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL16479270 0.84 FBP1 (0.56) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7245950 0.84 GLO1 (0.66) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL1856657 0.82 GLO1 (0.66) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL6466353 0.82 FBP1 (0.59) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL18484537 0.82 FBP1 (0.54) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL6466356 0.82 FBP1 (0.59) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL6466349 0.82 FBP1 (0.59) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL1856375 0.81 FBP1 (0.58) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL275826 0.81 ALDH1A1 (0.50) FBP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7820823 0.81 ALDH1A1 (0.50) FBP1SMN1; SMN2MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440324-B1 Substituted beta-diketones and their use in the treatment of inflammatory bowel disease ORION YHTYMAE OY (FI) 2000-04-12 EP claimed
EP-0440324-A2 Substituted beta-diketones and their use ORION-YHTYMÀ„ OY (FI) 1991-08-07 EP claimed
EP-0440324-B1 Substituted beta-diketones and their use in the treatment of inflammatory bowel disease ORION YHTYMAE OY (FI) 2000-04-12 EP disclosed
US-5292771-A Treating inflammatory bowel disease ORION-YHTYMA OY (FI) 1994-03-08 US disclosed
US-5185370-A Substituted β-diketones and their use ORION-YHTYMA OY (FI) 1993-02-09 US disclosed
EP-0440324-A2 Substituted beta-diketones and their use ORION-YHTYMÀ„ OY (FI) 1991-08-07 EP disclosed