SCHEMBL4728819

SCHEMBL4728819

CC(C)S(=O)(=O)N1CCC(C(N)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL17323627 0.83 EPHX2 (0.58) EPHX2POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL12437007 0.83 EPHX2 (0.58) EPHX2SMN1; SMN2TP53
SCHEMBL5217099 0.79 HTR4 (0.48) EPHX2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL30884651 0.79 EPHX2 (0.61) EPHX2ALDH1A1LMNAGAA
SCHEMBL30606194 0.79 EPHX2 (0.66) EPHX2SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL3377958 0.79 TP53 (0.61) POLBSMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL29851226 0.78 POLB (0.51) POLBSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL23343181 0.77 EPHX2 (0.52) EPHX2POLBSMN1; SMN2LMNATP53
SCHEMBL21596763 0.77 EPHX2 (0.46) EPHX2TP53
SCHEMBL22749233 0.77 SMN1; SMN2 (0.60) POLBSMN1; SMN2ALDH1A1LMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO claimed
CN-114901653-B Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2024-11-22 CN disclosed
CN-114901653-A Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-12 CN disclosed