SCHEMBL10504191

SCHEMBL10504191

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.33
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
EPHX2 P34913 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 0.82 PTGS1 (0.44) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL3833140 0.81 PTGS1 (0.58) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL10505549 0.80 PTGS1 (0.42) PTGS1ALDH1A1GAAPKMLMNA
Silver SCHEMBL5705127 0.79 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
Potassium Ion SCHEMBL10353844 0.79 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL15234431 0.79 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
Lithium Ion SCHEMBL4365114 0.79 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL124913 0.79 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
SCHEMBL7760538 0.79 PTGS1 (0.60) PTGS1ALDH1A1GAAPKMLMNA
Zinc Ion SCHEMBL587456 0.79 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-0154977-B1 GLYCERIN-ETHER PHOSPHATIDES, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-05-17 EP disclosed
EP-0154977-A2 Glycerin-ether phosphatides, their preparation and use F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-09-18 EP disclosed