SCHEMBL24901919

SCHEMBL24901919

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 2/20 0.33
KDM5A P29375 2/20 0.33
LMNA P02545 3/20 0.32
EPHX2 P34913 1/20 0.32
MGLL Q99685 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
FAAH O00519 1/20 0.30
MAPT P10636 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
SCHEMBL24597706 0.81
SCHEMBL23720676 0.77 FAAH (0.36) CA1CA2LMNAZDHHC7FAAH
SCHEMBL21841382 0.75 DGKA (0.51) LMNAMAPT
SCHEMBL19429837 0.74 CA12 (0.38) CA12CA1CA9CA2KDM5A
SCHEMBL23236779 0.74 CA12 (0.38) CA12CA1CA9CA2KDM5A
SCHEMBL22421662 0.74 CA12 (0.38) CA12CA1CA9CA2KDM5A
SCHEMBL13997447 0.74 GGPS1 (0.42) CA12CA1CA9CA2LMNA
SCHEMBL25615767 0.74 GGPS1 (0.42) CA12CA1CA9CA2LMNA
SCHEMBL24835898 0.71 CA12 (0.35) CA12CA1CA9CA2KDM5A
SCHEMBL9129441 0.71 ALDH1A1 (0.40) CA12CA1CA9CA2LMNA

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-2023001286-A1 POLYOL-MODIFIED LIPID COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF 天津键凯科技有限公司 2023-01-26 WO disclosed