SCHEMBL9333299

SCHEMBL9333299

C=C(C)C=Cc1cccc2c1C(=O)NC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP3 P42574 6/20 0.41
GSK3B P49841 2/20 0.37
PARP1 P09874 1/20 0.36
MAPT P10636 3/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
BLM P54132 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
IAPP P10997 1/20 0.34
CASP2 P42575 2/20 0.33
CASP7 P55210 2/20 0.33
CASP6 P55212 2/20 0.33

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
SCHEMBL7912431 0.79 KDM4E (0.48) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL8577337 0.79 KDM4E (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL28735098 0.76 GSK3B (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL626418 0.75 GSK3B (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7693227 0.75 KDM4E (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7552794 0.75 KDM4E (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
Iodide SCHEMBL2495412 0.74 GSK3B (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1627401 0.73 GSK3B (0.48) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL31229225 0.73 GSK3B (0.48) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL579203 0.72 GSK3B (0.46) KDM4EALDH1A1GAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380669-B1 ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO CORP (JP) 1994-03-23 EP disclosed
US-5130483-A Antiulcer agents and enzyme inhibitors TERUMO KABUSHIKI KAISHA (JP) 1992-07-14 US disclosed
EP-0380669-A1 ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-08-08 EP disclosed