SCHEMBL8936164

SCHEMBL8936164

CC(=O)ON(OC(C)=O)C1(C)CCc2cc(Cl)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
SRD5A1 P18405 8/20 0.40
SRD5A2 P31213 4/20 0.40
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DGAT1 O75907 5/20 0.37
HTT P42858 1/20 0.35
NOTUM Q6P988 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9600590 0.77 SRD5A1 (0.43) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL9587877 0.74 HTR2A (0.46) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL8936189 0.73 DRD2 (0.45) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL8936183 0.72 DRD2 (0.47) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
Hydrochloric Acid SCHEMBL8665861 0.72 DRD2 (0.44) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL9600587 0.70 SMN1; SMN2 (0.44) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL9287804 0.69 SRD5A1 (0.36) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL8665382 0.69 SRD5A1 (0.43) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL8667719 0.68 SMN1; SMN2 (0.43) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A
SCHEMBL8667717 0.68 SMN1; SMN2 (0.43) SMN1; SMN2SRD5A1SRD5A2DRD2HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514678-A Arthropodicidal 1,2,4-triazinyl amides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-07 US disclosed