SCHEMBL22294667

SCHEMBL22294667

CC1CC(CC[C@H](C)CC(C)(C)C)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 4/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL21895493 1.00 ATM (0.40) ATMKDM4EKMT2ATP53HTT
SCHEMBL15015050 1.00 ATM (0.40) ATMKDM4EKMT2ATP53HTT
SCHEMBL22369519 1.00 ATM (0.40) ATMKDM4EKMT2ATP53HTT
SCHEMBL14437339 1.00 ATM (0.40) ATMKDM4EKMT2ATP53HTT
SCHEMBL20385942 1.00 ATM (0.40) ATMKDM4EKMT2ATP53HTT
SCHEMBL664779 1.00 ATM (0.40) ATMKDM4EKMT2ATP53HTT
SCHEMBL664781 1.00 ATM (0.40) ATMKDM4EKMT2ATP53HTT
SCHEMBL23050036 0.84 ATM (0.39) ATMKDM4EKMT2ATP53HTT
SCHEMBL19336317 0.84 ATM (0.39) ATMKDM4EKMT2ATP53HTT
SCHEMBL13041014 0.82

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-3309233-B1 COMPOSITIONS COMPRISING HFC-1234YF AND HFC-152A CHEMOURS CO FC LLC (US) 2020-08-05 EP disclosed