SCHEMBL11297287

SCHEMBL11297287

CCCCC[N+](C)(CCCCC)CCCCC.CCOS(=O)(=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.50
BLM P54132 1/20 0.50
LSS P48449 1/20 0.39
DNM1 Q05193 10/20 0.37
HTT P42858 2/20 0.37
SLC22A1 O15245 2/20 0.36
SLC22A2 O15244 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL2999307 0.98 RECQL (0.53) RECQLGLAHPGDTSHRMAPK1
Tributylmethylammonium SCHEMBL5282503 0.94 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL25358021 0.91 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10707412 0.91 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
SCHEMBL11846563 0.91 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28389754 0.91 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
SCHEMBL9349258 0.90 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1
SCHEMBL30419968 0.88 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4585899 0.87 HTT (0.56) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3267214 0.87 DNM1 (0.56) RECQLGLAHPGDTSHRMAPK1

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