SCHEMBL9710901

SCHEMBL9710901

CC(=O)OCCOS(=O)(=O)OCCOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
GALR3 O60755 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL16160711 0.83 ALDH1A1 (0.48) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL2169178 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL2167463 0.81 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL64593 0.81 ALDH1A1 (0.68) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL20913726 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL29446779 0.78 ALDH1A1 (0.65) ALDH1A1TSHRCHRM5CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL5679172 0.78 ALDH1A1 (0.65) ALDH1A1TSHRCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL26134181 0.78 ALDH1A1 (0.65) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL1961059 0.78 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL2167884 0.78 ALDH1A1 (0.43) ALDH1A1TSHRCHRM5CHRM1CHRM3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324692-B1 PROCESS FOR THE PREPARATION OF HYDROXYALKYLATING AGENTS, THE AGENTS AS PREPARED AND THEIR USE RHONE-POULENC SANTE (FR) 1992-11-25 EP claimed
US-5023361-A Process for preparing hydroxyalkylating agents, the agents so obtained, and their use RHONE-POULENC SANTE (FR) 1991-06-11 US claimed
US-4925950-A Process for preparing 1-hydroxyalkyl-5-nitroimidazole RHONE-POULENC SANTE (FR) 1990-05-15 US claimed
US-5023361-A Process for preparing hydroxyalkylating agents, the agents so obtained, and their use RHONE-POULENC SANTE (FR) 1991-06-11 US disclosed
US-4925950-A Process for preparing 1-hydroxyalkyl-5-nitroimidazole RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed