SCHEMBL9823744

SCHEMBL9823744

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37

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 0.99 MEN1 (0.47) MEN1KMT2AGAAPTGS1PTGS2
SCHEMBL9823819 0.84 KDM4E (0.36) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL9824463 0.84 KDM4E (0.36) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL9823770 0.82 PTGS1 (0.47) MEN1KMT2AGAAPTGS1PTGS2
SCHEMBL9824265 0.80 TSHR (0.38) KMT2AGAATSHRALDH1A1KDM4E
SCHEMBL11057614 0.79 TSHR (0.36) TSHRALDH1A1KDM4E
SCHEMBL14359874 0.77 CHRM2 (0.35) TSHRALDH1A1KDM4E
SCHEMBL9824067 0.77 TSHR (0.42) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL26501687 0.74 PTGS1 (0.53) MEN1KMT2AGAAPTGS1PTGS2
SCHEMBL18538241 0.74 TSHR (0.42) TSHRALDH1A1KDM4EPDE4A

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