SCHEMBL11320198

SCHEMBL11320198

CCCCCCCCN(C)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.44
ALDH1A1 P00352 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CES2 O00748 4/20 0.39
KDM5A P29375 2/20 0.38
CES1 P23141 3/20 0.38
GGPS1 O95749 3/20 0.38
FAAH O00519 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL11324407 1.00 DNM1 (0.44) DNM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL4321071 1.00 DNM1 (0.44) DNM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL11323157 1.00 DNM1 (0.44) DNM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL30234581 1.00 DNM1 (0.44) DNM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL6669138 0.98 DNM1 (0.43) DNM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL8781867 0.98 ALDH1A1 (0.41) DNM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL2750539 0.83 DNM1 (0.42) DNM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL4891467 0.82 DNM1 (0.49) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL11317529 0.81 ALDH1A1 (0.41) DNM1ALDH1A1CES2CES1FAAH
SCHEMBL11324311 0.81 ALDH1A1 (0.41) DNM1ALDH1A1CES2CES1FAAH

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
US-4254823-A DISPERSION OF THE FIBERS IN AN AQUEOUS SOLUTION CONTAINING A CATIONIC SURFACTANT BEROL KEMI AB (SE) 1981-03-10 US disclosed
US-4058489-A NONIONIC, ANIONIC AND AMPHOTERIC SURFACTANTS BEROL KEMI AB (SW) 1977-11-15 US disclosed