SCHEMBL5161822

SCHEMBL5161822

CCCCCCCCCCC(CCCCCCCC)COCCCN

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.73
HTT P42858 1/20 0.50
TLR2 O60603 4/20 0.45
DNM1 Q05193 8/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 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
SCHEMBL9438364 1.00 CYP3A4 (0.73) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL9438201 1.00 CYP3A4 (0.73) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL8394379 1.00 CYP3A4 (0.73) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL4734129 0.98 CYP3A4 (0.77) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL15732744 0.96 CYP3A4 (0.69) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL15738975 0.96 CYP3A4 (0.69) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL28943055 0.94 CYP3A4 (0.71) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL28840278 0.93 CYP3A4 (0.86) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL15732821 0.93 CYP3A4 (0.86) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL5475375 0.88 CYP3A4 (0.55) CYP3A4HTTMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219597-B1 Process for production of ether amine KAO CORP (JP) 2007-02-14 EP disclosed
US-6576794-B2 Reacting a primary or secondary alcohol with acrylonitrile in presence of an alkali metal hydroxide to obtain alkyloxypropionitrile, adding water without removing alkali metal hydroxide to effect hydrogenation using a catalyst KAO CORPORATION (JP) 2003-06-10 US disclosed
US-20020158223-A1 Process for production of ether amine KAO CORPORATION (JP) 2002-10-31 US disclosed
EP-1219597-A1 Process for production of ether amine Kao Corporation (JP) 2002-07-03 EP disclosed
US-5298038-A Cleaning coke from injection nozzle KAO CORPORATION (JP) 1994-03-29 US disclosed
EP-0353713-B1 Use of an additive for fuel KAO CORP (JP) 1994-03-16 EP disclosed
EP-0353713-A1 Use of an additive for fuel Kao Corporation (JP) 1990-02-07 EP disclosed