SCHEMBL14040979

SCHEMBL14040979

CCCC1C[C@H](C)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 5/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 3/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL665010 1.00 ATM (0.49) ATMKDM4EKMT2ATP53MEN1
SCHEMBL5914551 1.00 ATM (0.49) ATMKDM4EKMT2ATP53MEN1
SCHEMBL12858695 1.00 ATM (0.49) ATMKDM4EKMT2ATP53MEN1
SCHEMBL576057 1.00 ATM (0.49) ATMKDM4EKMT2ATP53MEN1
SCHEMBL13041122 0.88 CYP2C9 (0.50) ATMKDM4EKMT2ATP53MEN1
SCHEMBL16976466 0.88 CYP2C9 (0.50) ATMKDM4EKMT2ATP53MEN1
SCHEMBL5914546 0.88 CYP2C9 (0.50) ATMKDM4EKMT2ATP53MEN1
SCHEMBL12676358 0.88 CYP2C9 (0.50) ATMKDM4EKMT2ATP53MEN1
SCHEMBL5914548 0.88 CYP2C9 (0.50) ATMKDM4EKMT2ATP53MEN1
SCHEMBL5936402 0.86 HTT (0.49) ATMKDM4EKMT2ATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330339-A1 COMPOSITIONS COMPRISING HFC-1234ZE The Chemours Company FC, LLC (US) 2018-06-06 EP disclosed
EP-1985681-A2 Compositions comprising a fluoroolefin E. I. Du Pont de Nemours and Company (US) 2008-10-29 EP disclosed