SCHEMBL9823770

SCHEMBL9823770

CC1(C)CC(=O)N(CCCCC(=O)O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.40
KDM4E B2RXH2 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9824052 0.83 MEN1 (0.47) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL26501687 0.82 PTGS1 (0.53) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL9823744 0.82 MEN1 (0.49) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL26501524 0.81 PTGS1 (0.45) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL26501528 0.81 PTGS1 (0.45) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL9823908 0.80 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2KDM4EHTR1A
SCHEMBL22788082 0.78 GAA (0.33) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL22728348 0.78 KMT2A (0.50) MEN1KMT2ASMN1; SMN2PTGDR2ALDH1A1
SCHEMBL14359588 0.76 HTR1A (0.36) SMN1; SMN2HTR1ADRD2HTR2CHTR7
SCHEMBL16038492 0.75 CHRM2 (0.36) MEN1KMT2AKDM4EHTR1ADRD2

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