SCHEMBL11298973

SCHEMBL11298973

CCCCCC[N+](CC)(CCCCCC)CCCCCC.CCOS(=O)(=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.52
TSHR P16473 3/20 0.52
RECQL P46063 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
EPHX2 P34913 1/20 0.52
BLM P54132 1/20 0.52
SLC22A1 O15245 3/20 0.46
HIF1A Q16665 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC22A2 O15244 1/20 0.43
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL29450805 1.00 DNM1 (0.52) DNM1TSHRRECQLGLAHPGD
SCHEMBL9619197 1.00 DNM1 (0.52) DNM1TSHRRECQLGLAHPGD
SCHEMBL6898223 0.96 DNM1 (0.57) DNM1TSHRRECQLGLAHPGD
SCHEMBL11016989 0.96 DNM1 (0.57) DNM1TSHRRECQLGLAHPGD
SCHEMBL4958512 0.96 DNM1 (0.57) DNM1TSHRRECQLGLAHPGD
SCHEMBL2928217 0.96 DNM1 (0.52) DNM1TSHRRECQLGLAHPGD
SCHEMBL4368365 0.93 RECQL (0.46) DNM1TSHRRECQLGLAHPGD
SCHEMBL5804186 0.91 RECQL (0.53) DNM1TSHRRECQLGLAHPGD
Tetrabuthylammonium SCHEMBL11225223 0.89 RECQL (0.53) DNM1TSHRRECQLGLAHPGD
SCHEMBL10768788 0.88 RECQL (0.44) DNM1TSHRRECQLGLAHPGD

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
EP-0019226-B1 PROCESS FOR PREPARING N-(ALPHA-ALKOXYETHYL)-CARBOXYLIC ACID AMIDES HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-11 EP disclosed
EP-0019226-A1 Process for preparing N-(alpha-alkoxyethyl)-carboxylic acid amides HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-26 EP disclosed