SCHEMBL9600587

SCHEMBL9600587

COC(=O)C(=O)NC1(C)CCc2cc(Cl)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
SRD5A1 P18405 7/20 0.38
SRD5A2 P31213 4/20 0.38
DGAT1 O75907 7/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC6A15 Q9H2J7 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8665382 0.88 SRD5A1 (0.43) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL8667719 0.76 SMN1; SMN2 (0.43) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL8667725 0.76 SMN1; SMN2 (0.43) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL8667717 0.76 SMN1; SMN2 (0.43) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL9587877 0.72 HTR2A (0.46) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL8936189 0.71 DRD2 (0.45) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
Hydrochloric Acid SCHEMBL8665861 0.70 DRD2 (0.44) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL8936183 0.70 DRD2 (0.47) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL8936164 0.70 SMN1; SMN2 (0.41) SMN1; SMN2SRD5A1SRD5A2DGAT1DRD2
SCHEMBL9141221 0.69 SMN1; SMN2 (0.53) 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
WO-1993019045-A1 ARTHROPODICIDAL AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-30 WO disclosed