SCHEMBL4668728

SCHEMBL4668728

CCCCC(NC(C)C)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
OPRM1 P35372 1/20 0.36
SLC15A1 P46059 1/20 0.33
CTSK P43235 1/20 0.33
CNR2 P34972 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL11816171 0.92 OPRM1 (0.46) DNM1TSHRTDP1OPRM1CNR2
SCHEMBL23902076 0.78 ADH1B (0.41) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL12201612 0.78 ADH1B (0.41) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL10952637 0.78 ADH1B (0.41) DNM1ALDH1A1TSHRCYP3A4TDP1
Hexane SCHEMBL9763562 0.76 TDP1 (0.57) DNM1ALDH1A1TSHRTDP1OPRM1
SCHEMBL7963141 0.74 SLC15A1 (0.35) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL22863416 0.74 DNM1 (0.35) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL10676996 0.74 SPHK1 (0.37) DNM1ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL23385283 0.74 DNM1 (0.35) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL15936470 0.74 OPRM1 (0.44) DNM1ALDH1A1TSHRCYP3A4TDP1

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-1928786-A1 PROCESSES FOR PREPARING MTT ZEOLITES USING NITROGEN-CONTAINING ORGANIC COMPOUNDS Chevron U.S.A., Inc. (US) 2008-06-11 EP disclosed
WO-2007027437-A1 PROCESSES FOR PREPARING MTT ZEOLITES USING NITROGEN-CONTAINING ORGANIC COMPOUNDS CHEVRON U.S.A. INC. (US) 2007-03-08 WO disclosed