SCHEMBL7113105

SCHEMBL7113105

CCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.71
▸ DNM1 Q05193 1/20 0.59
▸ MAPT P10636 2/20 0.56
▸ PAM P19021 2/20 0.55
▸ ADRA2A P08913 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ BLM P54132 1/20 0.52
▸ TSHR P16473 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
▸ LMNA P02545 2/20 0.50
▸ NAAA Q02083 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ACHE P22303 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL377473 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL1049974 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL1056065 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL7113175 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL7114491 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL1052058 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
Hydrochloric Acid SCHEMBL125089 0.98 DGKA (0.69) DGKADNM1MAPTPAMADRA2A
Hydrochloric Acid SCHEMBL243866 0.98 DGKA (0.69) DGKADNM1MAPTPAMADRA2A
Hydrochloric Acid SCHEMBL5907091 0.98 DGKA (0.69) DGKADNM1MAPTPAMADRA2A
Bromide SCHEMBL10492800 0.95 DGKA (0.65) DGKADNM1MAPTPAMADRA2A

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
EP-1017278-B1 USE OF QUATERNARY CARBOXYLIC ACID ALKANOLAMINE ESTER SALTS AS MICROBICIDE AGENTS COGNIS DEUTSCHLAND GMBH (DE) 2003-11-12 — — EP disclosed
EP-1017278-A2 USE OF QUATERNARY CARBOXYLIC ACID ALKANOLAMINE ESTER SALTS AS MICROBICIDE AGENTS Cognis Deutschland GmbH (DE) 2000-07-12 — — EP disclosed
WO-1999015013-A2 USE OF QUATERNARY CARBOXYLIC ACID ALKANOLAMINE ESTER SALTS AS MICROBICIDAL AGENTS COGNIS DEUTSCHLAND GMBH (DE) 1999-04-01 — — WO disclosed
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