SCHEMBL6292014

SCHEMBL6292014

CCCCOC(=O)NCC(=O)NCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
RECQL P46063 1/20 0.50
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9023934 0.93 ACHE (0.56) ACHERECQLEPHX1ALDH1A1HSD17B10
SCHEMBL4751426 0.85 ACHE (0.51) ACHEEPHX1ALDH1A1
SCHEMBL8141865 0.84 ACHE (0.55) ACHEEPHX1ALDH1A1
SCHEMBL27569555 0.83 ACHE (0.50) ACHEEPHX1NPC1RAB9AALDH1A1
SCHEMBL9374452 0.81 ACHE (0.55) ACHEEPHX1ALDH1A1
SCHEMBL19656332 0.80 RECQL (0.59) RECQLALDH1A1
SCHEMBL13905173 0.79 ACHE (0.53) ACHEEPHX1NPC1RAB9AALDH1A1
SCHEMBL8960685 0.79 ACHE (0.57) ACHEEPHX1NPC1RAB9A
SCHEMBL8960640 0.79 ACHE (0.57) ACHEEPHX1NPC1RAB9A
SCHEMBL8960621 0.79 ACHE (0.57) ACHEEPHX1NPC1RAB9A

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
US-6852856-B2 Method for preserving quaternary ammonium salt TOKUYAMA CORPORATION (JP) 2005-02-08 US disclosed