SCHEMBL29210693

SCHEMBL29210693

CC(C)(O)C(C)(C)O.N#Cc1ccc(OB(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KIF11 P52732 1/20 0.39
HPGD P15428 1/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CYP2A6 P11509 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AR P10275 3/20 0.37
CA1 P00915 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2202099 0.89 ENPP2 (0.52) ENPP2MMP2MMP3ALDH1A1MAPT
SCHEMBL23004807 0.79 AR (0.40) MAPTPARP15PARP10PARP2AR
1,3-Propanediol SCHEMBL29185451 0.79 ENPP2 (0.42) ENPP2MMP2MMP3ALDH1A1MAPT
Boric Acid SCHEMBL28575327 0.77 ENPP2 (0.41) ENPP2MMP2MMP3ALDH1A1MAPT
SCHEMBL28463108 0.77 CA1 (0.38) ALDH1A1MAPTCA2CA9CYP2A6
SCHEMBL29141449 0.77 CA1 (0.48) ENPP2MAPTCA2CA9CA12
SCHEMBL28667653 0.77 ESR2 (0.41) ENPP2HPGDARKDM4EMEN1
SCHEMBL28449335 0.76 ALDH1A1 (0.42) ALDH1A1MAPTHPGDPARP10MEN1
SCHEMBL29222009 0.76 ORAI1 (0.37) MMP2ALDH1A1MAOBMMP1MMP9
SCHEMBL23004800 0.75 SCN9A (0.39) MAPTPARP15PARP10PARP2AR

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-117986247-A METTL3 inhibitor compounds 成都先导药物开发股份有限公司 2024-05-07 CN disclosed