SCHEMBL9823819

SCHEMBL9823819

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CYP19A1 P11511 12/20 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
SCHEMBL9824463 1.00 KDM4E (0.36) KDM4EALDH1A1TSHRHTTMEN1
SCHEMBL9824184 0.98 KDM4E (0.37) KDM4EALDH1A1TSHRHTTMEN1
SCHEMBL9824265 0.94 TSHR (0.38) KDM4EALDH1A1TSHRHTTPABPC1
SCHEMBL9824067 0.87 TSHR (0.42) KDM4EALDH1A1TSHRMEN1NPC1
SCHEMBL9823744 0.84 MEN1 (0.49) KDM4EALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9823926 0.83 KDM4E (0.35) KDM4EALDH1A1TSHRHTR1ADRD2
SCHEMBL14359278 0.83 HTR1A (0.36) KDM4EALDH1A1TSHRHTR1ADRD2
SCHEMBL11057614 0.83 TSHR (0.36) KDM4EALDH1A1TSHRHTR1ADRD2
SCHEMBL9823908 0.82 ALDH1A1 (0.39) KDM4EALDH1A1TSHRHTTMEN1
SCHEMBL9824052 0.82 MEN1 (0.47) KDM4EALDH1A1TSHRMEN1KMT2A

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