SCHEMBL4078044

SCHEMBL4078044

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.31
RECQL P46063 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
SCHEMBL4078509 0.87 PTGS1 (0.44) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL4088099 0.86 PTGS1 (0.37) PTGS1ALDH1A1GAAPKM
Lithium Ion SCHEMBL4365114 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL15234431 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL9356000 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
Silver SCHEMBL5705127 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL7760538 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL124913 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
Potassium Ion SCHEMBL10353844 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
Zinc Ion SCHEMBL587456 0.76 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA

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