SCHEMBL28117718

SCHEMBL28117718

CC(C)(C)OC(=O)CCC(=O)OCOC(=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
LMNA P02545 3/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
SLC15A2 Q16348 1/20 0.36
ALDH1A1 P00352 1/20 0.35
STING1 Q86WV6 1/20 0.35
TSHR P16473 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
PAM P19021 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL15634991 0.91 ADRA2A (0.39) STING1TSHRADRA2AADRA1AHDAC3
SCHEMBL631111 0.91 EGLN1 (0.48) EGLN1KDM6BKDM5CPHF8KDM2A
Chloromethane SCHEMBL3415691 0.89 EGLN1 (0.46) EGLN1KDM6BKDM5CPHF8KDM2A
Cyclohexane SCHEMBL27625968 0.85 LMNA (0.44) EGLN1KDM6BKDM5CPHF8KDM2A
Butane SCHEMBL2855608 0.85 FFAR3 (0.44) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL644646 0.82 TSHR (0.45) ALDH1A1STING1TSHRADRA2AADRA1A
SCHEMBL2336160 0.82 LMNA (0.56) EGLN1KDM6BKDM5CPHF8KDM2A
Succinic Acid SCHEMBL29896338 0.82 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL28341877 0.82 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL3123396 0.79 EGLN1 (0.42) EGLN1KDM6BKDM5CPHF8KDM2A

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
CN-106255509-A For the succinate prodrug of application in owing to the lactic acidosis of complex I associated injury of Mitochondria or the treatment of drug-induced side effect 纽维制药有限公司 2016-12-21 CN disclosed