SCHEMBL4382787

SCHEMBL4382787

CCC(C(=O)OC1CC(=O)NC1=O)[n+]1c2ccccc2c(C(=O)Oc2c(C(F)(F)F)cccc2C(F)(F)F)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL4370782 0.87 MEN1 (0.32)
SCHEMBL4374675 0.85 CACNA1C (0.33) KDM4ECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7384140 0.72 TP53 (0.39) TP53MAPK1CACNA1FCACNA1DCACNA1S
Trifluoromethanesulfonic Acid SCHEMBL12096565 0.67 BRD4 (0.31)
SCHEMBL7383949 0.65 CHRM2 (0.49) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7387268 0.64 GPBAR1 (0.39)
SCHEMBL7384136 0.64 MEN1 (0.44) KDM4EMAPK1
SCHEMBL7381326 0.64 MEN1 (0.44) KDM4EMAPK1
SCHEMBL14454543 0.63 MGLL (0.32) KDM4E
SCHEMBL7386685 0.62 CHRM2 (0.48) CACNA1FCACNA1DCACNA1SCACNA1C

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
EP-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP claimed