SCHEMBL4078509

SCHEMBL4078509

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
ALDH1A1 P00352 5/20 0.40
GAA P10253 4/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.34
ATM Q13315 2/20 0.34
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
POLB P06746 1/20 0.31
PKLR P30613 1/20 0.31
CYTH2 Q99418 1/20 0.31
CHRM2 P08172 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 0.87 PTGS1 (0.40) PTGS1ALDH1A1GAAPKMTSHR
SCHEMBL4088099 0.83 PTGS1 (0.37) PTGS1ALDH1A1GAAPKMSMN1; SMN2
SCHEMBL10504191 0.82 PTGS1 (0.43) PTGS1ALDH1A1GAAPKMTSHR
SCHEMBL7760538 0.80 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMTSHR
SCHEMBL15234431 0.80 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMTSHR
Silver SCHEMBL5705127 0.80 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMTSHR
Lithium Ion SCHEMBL4365114 0.80 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMTSHR
SCHEMBL124913 0.80 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMTSHR
Potassium Ion SCHEMBL10353844 0.80 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMTSHR
Zinc Ion SCHEMBL587456 0.80 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMTSHR

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 disclosed
WO-2008095558-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S HENKEL AG & CO. KGAA (DE) 2008-08-14 WO disclosed