SCHEMBL9823908

SCHEMBL9823908

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
PABPC1 P11940 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
RGS12 O14924 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
HSD17B10 Q99714 2/20 0.36
USP2 O75604 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
SCHEMBL16038492 0.85 CHRM2 (0.36) KMT2AKDM4EMEN1HTR1ADRD2
SCHEMBL9824463 0.82 KDM4E (0.36) ALDH1A1HTTPABPC1KMT2AKDM4E
SCHEMBL9823819 0.82 KDM4E (0.36) ALDH1A1HTTPABPC1KMT2AKDM4E
SCHEMBL26180438 0.81 ALDH1A1 (0.38) ALDH1A1HTTPABPC1KMT2AKDM4E
SCHEMBL9823770 0.80 PTGS1 (0.47) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL9824184 0.80 KDM4E (0.37) ALDH1A1HTTPABPC1KMT2AKDM4E
SCHEMBL14359588 0.79 HTR1A (0.36) SMN1; SMN2HTR1ADRD2HTR2CHTR7
SCHEMBL19062108 0.76 HTR1A (0.34) KMT2AKDM4EMEN1RECQLHTR1A
SCHEMBL8283007 0.76 CHRM2 (0.41) ALDH1A1KMT2AMEN1HTR1ADRD2
SCHEMBL9824265 0.75 TSHR (0.38) ALDH1A1HTTPABPC1KMT2AKDM4E

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