SCHEMBL8038684

SCHEMBL8038684

CC(=O)Nc1ccc(C=C(C(=O)C2CC2)C(=O)C2CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.60
KDM4E B2RXH2 6/20 0.53
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 1/20 0.46

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
SCHEMBL4871556 0.80 PTGS2 (0.56) KDM4EKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL14198044 0.77 KDM4E (0.60) KDM4EKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL11397387 0.76 MEN1 (0.64) NAMPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL11397390 0.76 MEN1 (0.64) NAMPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL4007541 0.76 LMNA (0.51) NAMPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL8040507 0.75 RAB9A (0.49) KDM4EALDH1A1MAPTRAB9ANPSR1
SCHEMBL6885184 0.75 MAPT (0.54) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL6885182 0.75 MAPT (0.54) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL8028754 0.75 ALDH1A1 (0.58) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL28396692 0.74 KDM4E (0.57) KDM4EKMT2AALDH1A1SMN1; SMN2HTT

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