SCHEMBL10364151

SCHEMBL10364151

C=CC(=O)NCCCCOc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TGM2 P21980 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.49
ZDHHC20 Q5W0Z9 1/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL10808817 0.92 ZDHHC20 (0.51) SMN1; SMN2TGM2NPC1RAB9AALDH1A1
SCHEMBL10805451 0.90 ZDHHC2 (0.63) TGM2NPC1RAB9AZDHHC20ZDHHC2
SCHEMBL10363985 0.88 ZDHHC20 (0.49) MTNR1AMTNR1BKMT2ASMN1; SMN2TGM2
SCHEMBL10807201 0.88 NPC1 (0.57) KMT2ATGM2NPC1RAB9AALDH1A1
SCHEMBL10364025 0.88 HPGD (0.57) KMT2ASMN1; SMN2TGM2NPC1ALDH1A1
SCHEMBL10806934 0.88 ZDHHC2 (0.66) ZDHHC20ZDHHC2
SCHEMBL10806063 0.87 MAPT (0.60) MTNR1AMTNR1BKMT2ASMN1; SMN2NPC1
SCHEMBL10808118 0.87 ZDHHC2 (0.69) TGM2ZDHHC20ZDHHC2
SCHEMBL10806715 0.87 ZDHHC2 (0.69) TGM2ZDHHC20ZDHHC2
SCHEMBL10806059 0.87 ZDHHC2 (0.69) TGM2ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 EP disclosed