SCHEMBL24835898

SCHEMBL24835898

CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCC(C)(C)OCCC(C)(C)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA2 P00918 1/20 0.35
KDM5A P29375 2/20 0.34
DNM1 Q05193 1/20 0.33
DGKA P23743 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 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
SCHEMBL24836047 0.88 CA12 (0.36) CA12CA1CA9CA2KDM5A
SCHEMBL21324044 0.88 CA12 (0.36) CA12CA1CA9CA2KDM5A
SCHEMBL22421666 0.88 CA12 (0.36) CA12CA1CA9CA2KDM5A
SCHEMBL22035307 0.84 CES2 (0.32) CA12CA1CA9CA2KDM5A
SCHEMBL25129127 0.81 CA12 (0.37) CA12CA1CA9CA2KDM5A
SCHEMBL25961353 0.81 EPHX1 (0.38) CA12CA1CA9CA2KDM5A
SCHEMBL25961415 0.80 CA12 (0.34) CA12CA1CA9CA2DNM1
SCHEMBL25693822 0.78 CA12 (0.35) CA12CA1CA9CA2DNM1
SCHEMBL27341113 0.78 CES2 (0.33) CA12CA1CA9CA2KDM5A
SCHEMBL24836233 0.77 DNM1 (0.31) CA12CA1CA9CA2DNM1

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-2023273364-A1 POLYETHYLENE GLYCOL LIPID AND USE THEREOF 天津键凯科技有限公司 2023-01-05 WO disclosed