SCHEMBL4052525

SCHEMBL4052525

COC(=O)CCC(CCC(=O)OC)c1ccc(OC)c2c1c1ccccc1n2C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PTK2B Q14289 1/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 2/20 0.37

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
SCHEMBL4375183 0.86 KDM4E (0.37) KDM4EHSD17B10MAPTALDH1A1RXFP1
SCHEMBL5022288 0.72 KDM4E (0.49) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL5022810 0.68 TDP1 (0.45) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL16673026 0.68 POLB (0.50) KDM4EHPGDTSHRALDH1A1KMT2A
SCHEMBL4375180 0.68 PSEN1 (0.38) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL4541903 0.65 MYLK (0.40) KDM4EHPGDMAPTTSHREGFR
SCHEMBL30293800 0.64 EGFR (0.53) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL1004258 0.64 FABP4 (0.64) KDM4EHPGDMAPTTSHRALDH1A1
SCHEMBL31367787 0.64 FABP4 (0.64) KDM4EHPGDMAPTTSHRALDH1A1
SCHEMBL5026697 0.63 ALKBH5 (0.59) KDM4EHSD17B10HPGDMAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed