SCHEMBL8039347

SCHEMBL8039347

CCC(=O)C(=Cc1ccc(C#N)cc1)C(=O)CC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.54
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP2A6 P11509 1/20 0.42
LMNA P02545 2/20 0.41
HDAC2 Q92769 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 1/20 0.41
P4HB P07237 1/20 0.41
SNCA P37840 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL12803432 0.86 ALDH1A1 (0.59) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL12940413 0.86 ALDH1A1 (0.59) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL12803433 0.86 ALDH1A1 (0.59) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL231074 0.81 ALDH1A1 (0.60) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL8028834 0.80 PDCD1 (0.59) FBP1GSK3BP4HB
SCHEMBL10589974 0.80 MEN1 (0.66) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL5202339 0.79 TP53 (0.55) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL5202399 0.77 FBP1 (0.53) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL5202408 0.77 FBP1 (0.53) FBP1KDM4EALDH1A1PKMKMT2A
SCHEMBL8344118 0.77 FBP1 (0.49) FBP1KDM4EALDH1A1PKMKMT2A

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 8 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
US-5292771-A Treating inflammatory bowel disease ORION-YHTYMA OY (FI) 1994-03-08 US claimed
US-5185370-A Substituted β-diketones and their use ORION-YHTYMA OY (FI) 1993-02-09 US 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