SCHEMBL7018215

SCHEMBL7018215

CC=CCC(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
ALDH1A1 P00352 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.34
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7018212 1.00 KDM4E (0.46) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL11974548 0.87 SOAT1 (0.33) KDM4EALDH1A1SOAT1
SCHEMBL5742287 0.83 SOAT1 (0.33) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL16705746 0.82 KDM4E (0.42) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL9113394 0.81 ALDH1A1 (0.35) ALDH1A1SOAT1TDP1
SCHEMBL28606494 0.81 ALDH1A1 (0.35) ALDH1A1SOAT1TDP1
SCHEMBL1509789 0.81 ALDH1A1 (0.35) ALDH1A1SOAT1TDP1
SCHEMBL8507918 0.79
SCHEMBL2619425 0.78
SCHEMBL5605355 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 WO disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
US-4892718-A LANTHANIDE OR ACINIDE METAL SALTS SIEGFRIED, PETER (DE) 1990-01-09 US disclosed