SCHEMBL9824067

SCHEMBL9824067

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
GRM2 Q14416 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP19A1 P11511 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9824265 0.90 TSHR (0.38) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL9824184 0.88 KDM4E (0.37) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL9823819 0.87 KDM4E (0.36) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL9824463 0.87 KDM4E (0.36) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL18538241 0.83 TSHR (0.42) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL18538246 0.82 TSHR (0.39) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL9824007 0.81 ALDH1A1 (0.43) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL9823720 0.81 CHRM2 (0.49) TSHRKDM4EALDH1A1CHRM2CHRM3
SCHEMBL16038492 0.79 CHRM2 (0.36) TSHRKDM4ECHRM2CHRM3GRM2
SCHEMBL14359874 0.79 CHRM2 (0.35) TSHRKDM4EALDH1A1CHRM2CHRM3

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