SCHEMBL4088099

SCHEMBL4088099

C=CC[N+]1(C)CCC(=O)CC1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4078044 0.86 PTGS1 (0.40) PTGS1ALDH1A1GAAPKM
SCHEMBL4078509 0.83 PTGS1 (0.44) PTGS1ALDH1A1GAAPKMSMN1; SMN2
Sulfuric Acid SCHEMBL4085938 0.77 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL4088097 0.77 CYP2C9 (0.36) PTGS1ALDH1A1GAAPKMSMN1; SMN2
SCHEMBL4081706 0.76
SCHEMBL9325777 0.74 PTGS1 (0.45) PTGS1ALDH1A1GAAPKMSMN1; SMN2
SCHEMBL7760538 0.72 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMSMN1; SMN2
Silver SCHEMBL5705127 0.72 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMSMN1; SMN2
SCHEMBL124913 0.72 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMSMN1; SMN2
Potassium Ion SCHEMBL10353844 0.72 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMSMN1; SMN2

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-2081543-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S Henkel AG & Co. KGaA (DE) 2009-07-29 EP claimed
WO-2008095558-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S HENKEL AG & CO. KGAA (DE) 2008-08-14 WO claimed