SCHEMBL22682128

SCHEMBL22682128

CNC(C)CCCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 2/20 0.30
SLC18A2 Q05940 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL20376405 1.00 LMNA (0.46) LMNAADH1BADH1CADH1AADH4
SCHEMBL20341149 0.97 LMNA (0.48) LMNAADH1BADH1CADH1AADH4
SCHEMBL17887637 0.92 LMNA (0.48) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL14450809 0.92 LMNA (0.48) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL19123140 0.92 LMNA (0.48) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL11510560 0.91 ADH1B (0.41) LMNAADH1BADH1CADH1AADH4
Hydrochloric Acid SCHEMBL29733665 0.89 LMNA (0.46) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL27371638 0.84 LMNA (0.62) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL23340664 0.81 ADH1B (0.56) LMNAADH1BADH1CADH1AADH4
SCHEMBL6898195 0.81 ADH1B (0.56) LMNAADH1BADH1CADH1AADH4

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
WO-2020229364-A1 KETONE BODIES ENCLOSED IN MICROBEADS KETOSWISS AG (CH) 2020-11-19 WO disclosed