SCHEMBL30906709

SCHEMBL30906709

COC(=O)COC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA2 P00918 1/20 0.41
DGAT1 O75907 1/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TET2 Q6N021 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
APLNR P35414 1/20 0.33
RECQL P46063 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6935674 0.79 ALDH1A1 (0.38) CA12CA14CA2DGAT1GAA
SCHEMBL10010655 0.79 TSHR (0.48) CA12CA14TSHRHSD17B10MGAM
SCHEMBL28346522 0.77 PAM (0.36) DGAT1TSHRGAAHDAC6APLNR
SCHEMBL31364246 0.77 HDAC6 (0.35) DGAT1GAAHDAC6APLNRHDAC1
SCHEMBL28299938 0.76 ALDH1A1 (0.35) CA12CA14CA2DGAT1TET2
SCHEMBL303763 0.76 DGAT1 (0.41) CA12CA14CA2DGAT1GAA
SCHEMBL3134646 0.76 HDAC6 (0.34) DGAT1HDAC6APLNRHDAC1HDAC2
SCHEMBL16746703 0.75 NAAA (0.44) TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL16265197 0.74 HDAC6 (0.33) CA2DGAT1GAAHDAC6APLNR
SCHEMBL16593852 0.74 HDAC6 (0.33) DGAT1GAAHDAC6APLNRHDAC1

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-2024077087-A2 M24B AMINOPEPTIDASE INHIBITORS FOR CARDS INFLAMMASOME ACTIVATION MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-04-11 WO disclosed