SCHEMBL11517862

SCHEMBL11517862

CC(=O)CC(=O)C(F)(F)C(F)(F)Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL11519259 0.85
SCHEMBL5664808 0.80 MGAM (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5467545 0.80 LIPA (0.38) MGAMGAASIMGAM2ALDH1A1
Dichlorotetrafluoroethane SCHEMBL5430433 0.79 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11519554 0.77 TDP1 (0.38)
SCHEMBL7816152 0.76 THRB (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20690112 0.74 THRB (0.44) MGAMGAASIMGAM2HTT
SCHEMBL7193179 0.74 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15160 0.74 FAAH (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22246156 0.73 THRB (0.48) MGAMGAASIMGAM2ALDH1A1

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
US-4180386-A ANTIKNOCK FUEL ADDITIVES E. I. DU PONT DE NEMOURS & COMPANY (US) 1979-12-25 US disclosed