SCHEMBL8374162

SCHEMBL8374162

COC(=O)CCCN(C)CCO

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TSHR P16473 3/20 0.54
KDM5A P29375 3/20 0.49
LTA4H P09960 4/20 0.47
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
DNM1 Q05193 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8375565 0.92 KMT2A (0.57) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL14430424 0.92 MEN1 (0.71) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL2806191 0.90 MEN1 (0.59) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL8374457 0.88 KMT2A (0.79) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL16644494 0.85 KDM5A (0.50) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL22483458 0.85 MEN1 (0.57) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL18499076 0.83 KMT2A (0.65) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL22470229 0.82 MEN1 (0.59) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL22470280 0.82 MEN1 (0.59) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL10662846 0.82 CYP1A2 (0.52) MEN1KMT2ATSHRKDM5ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643128-B1 Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt KAO CORP (JP) 1999-03-10 EP disclosed
US-5580481-A Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt KAO CORPORATION (JP) 1996-12-03 US disclosed
US-5476597-A Storage stability, elasticity KAO CORPORATION (JP) 1995-12-19 US disclosed
EP-0643128-A1 Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt Kao Corporation (JP) 1995-03-15 EP disclosed