SCHEMBL9823720

SCHEMBL9823720

CCN1C(=O)CC(C)(CC)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.39
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CTRC Q99895 1/20 0.37
LMNA P02545 2/20 0.34
GRM2 Q14416 1/20 0.34
CYP2C19 P33261 1/20 0.34
GMNN O75496 1/20 0.33
MAPT P10636 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.31

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
SCHEMBL18538241 0.89 TSHR (0.42) CHRM2CHRM3TSHRNPSR1ALDH1A1
SCHEMBL18538246 0.81 TSHR (0.39) CHRM2CHRM3TSHRNPSR1ALDH1A1
SCHEMBL9824067 0.81 TSHR (0.42) CHRM2CHRM3TSHRNPSR1ALDH1A1
SCHEMBL17471625 0.81 TSHR (0.42) CHRM2CHRM3TSHRNPSR1ALDH1A1
SCHEMBL13077661 0.80 CHRM2 (0.42) CHRM2CHRM3TSHRNPSR1F2
SCHEMBL12600976 0.78 CHRM2 (0.52) CHRM2CHRM3TSHRNPSR1ALDH1A1
SCHEMBL14359874 0.78 CHRM2 (0.35) CHRM2CHRM3TSHRNPSR1ALDH1A1
SCHEMBL9824265 0.78 TSHR (0.38) CHRM2CHRM3TSHRNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL9823800 0.77 TSHR (0.36) CHRM2CHRM3TSHRNPSR1ALDH1A1
SCHEMBL9824007 0.77 ALDH1A1 (0.43) CHRM2CHRM3TSHRNPSR1ALDH1A1

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