SCHEMBL4200732

SCHEMBL4200732

CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)CCC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.65
▸ DNM1 Q05193 3/20 0.54
▸ MAPT P10636 1/20 0.51
▸ RAD52 P43351 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ PAM P19021 2/20 0.50
▸ NAAA Q02083 1/20 0.50
▸ HTR2C P28335 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ FABP3 P05413 1/20 0.45

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
Iodide SCHEMBL4193878 0.98 DGKA (0.62) DGKADNM1MAPTRAD52NPSR1
SCHEMBL4201697 0.95 DGKA (0.67) DGKADNM1MAPTRAD52NPSR1
SCHEMBL4191351 0.95 DGKA (0.67) DGKADNM1MAPTRAD52NPSR1
SCHEMBL4189332 0.95 DGKA (0.67) DGKADNM1MAPTRAD52NPSR1
SCHEMBL4200750 0.95 DGKA (0.67) DGKADNM1MAPTRAD52NPSR1
Iodide SCHEMBL4199026 0.93 DGKA (0.65) DGKADNM1MAPTRAD52NPSR1
Iodide SCHEMBL4200181 0.93 DGKA (0.65) DGKADNM1MAPTRAD52NPSR1
Iodide SCHEMBL4201688 0.93 DGKA (0.65) DGKADNM1MAPTRAD52NPSR1
Bromide SCHEMBL11577762 0.93 DGKA (0.65) DGKADNM1MAPTRAD52NPSR1
Iodide SCHEMBL4197212 0.93 DGKA (0.65) DGKADNM1MAPTRAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587553-B1 QUATERNARY AMMONIUM ESTERS FOR DISINFECTION AND PRESERVATION BAUSCH & LOMB (US) 2009-03-11 — — EP claimed
Send feedback