SCHEMBL1061900

SCHEMBL1061900

CC(N1CCN(C(C)S(=O)(=O)O)CC1)S(=O)(=O)O.CC(N1CCN(C(C)S(=O)(=O)O)CC1)S(=O)(=O)O.O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.30
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
SCHEMBL1662667 1.00 CHRM2 (0.34) CHRM2CHRM1ALDH1A1MAPTMAPK1
SCHEMBL348916 0.94 CHRM2 (0.42) CHRM2CHRM1ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL310122 0.92 CHRM2 (0.41) CHRM2CHRM1ALDH1A1MAPTMAPK1
SCHEMBL25625929 0.85 DAO (0.41) CHRM2CHRM1ALDH1A1MAPTMAPK1
SCHEMBL1005285 0.84 CHRM2 (0.35) CHRM2CHRM1ALDH1A1MAPTMAPK1
SCHEMBL64211 0.84 CHRM2 (0.47) CHRM2CHRM1ALDH1A1MAPTHTT
SCHEMBL3178617 0.82 CHRM2 (0.46) CHRM2CHRM1ALDH1A1MAPTHTT
SCHEMBL22345800 0.82 CHRM2 (0.46) CHRM2CHRM1ALDH1A1MAPTHTT
SCHEMBL6261605 0.81 POLB (0.32) NPSR1
SCHEMBL63679 0.80 PTGS1 (0.39) ALDH1A1MAPTMAPK1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003391-A1 SENSOR FILMS, METHODS FOR MAKING AND METHODS FOR MONITORING WATER-SOLUBLE POLYMER CONCENTRATIONS GENERAL ELECTRIC COMPANY 2011-01-06 US claimed
EP-2449374-A1 SENSOR FILMS, METHODS FOR MAKING AND METHODS FOR MONITORING WATER-SOLUBLE POLYMER CONCENTRATIONS General Electric Company (US) 2012-05-09 EP disclosed
US-20110003391-A1 SENSOR FILMS, METHODS FOR MAKING AND METHODS FOR MONITORING WATER-SOLUBLE POLYMER CONCENTRATIONS GENERAL ELECTRIC COMPANY 2011-01-06 US disclosed