SCHEMBL9824052

SCHEMBL9824052

CCC1(C)CC(=O)N(CCCCC(=O)O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL9823744 0.99 MEN1 (0.49) MEN1GAAKMT2APTGS1PTGS2
SCHEMBL9823770 0.83 PTGS1 (0.47) MEN1GAAKMT2APTGS1PTGS2
SCHEMBL9824463 0.82 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14359874 0.78 CHRM2 (0.35) KDM4EALDH1A1TSHR
SCHEMBL9824067 0.78 TSHR (0.42) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL26501687 0.72 PTGS1 (0.53) MEN1GAAKMT2APTGS1PTGS2
SCHEMBL9824285 0.71 KMT2A (0.50) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL7463384 0.70 PTGS1 (0.58) MEN1GAAKMT2APTGS1PTGS2
SCHEMBL7259687 0.69 PTGS1 (0.61) MEN1GAAKMT2APTGS1PTGS2
SCHEMBL1618771 0.69 PTGS1 (0.61) MEN1GAAKMT2APTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199963-B1 ETHOSUXIMIDE ASSAY TRACERS, IMMUNOGENS AND ANTIBODIES ABBOTT LABORATORIES (US) 1991-10-23 EP disclosed
EP-0199963-A1 Ethosuximide assay tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-11-05 EP disclosed