SCHEMBL10817099

SCHEMBL10817099

CCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.60
APAF1 O14727 1/20 0.56
HSP90AA1 P07900 1/20 0.56
RAD52 P43351 1/20 0.56
ENPP2 Q13822 4/20 0.53
EPHX2 P34913 1/20 0.46
MEN1 O00255 2/20 0.44
NFKB1 P19838 2/20 0.44
KMT2A Q03164 2/20 0.44
APEX1 P27695 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
PMP22 Q01453 1/20 0.44
FAAH O00519 2/20 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
SCHEMBL5605270 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL11139866 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL10811898 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL10817018 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL11144693 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL10823188 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
Cetrimonium SCHEMBL10817299 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL1253212 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
Cetrimonium SCHEMBL331244 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL330713 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2

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-4705860-A Quaternary ammonium salts and their use as drag reducing agents HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4584109-A CATONIC SURFACTANTS FOR ENHANCED OIL RECOVERY HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-22 US disclosed