SCHEMBL10364003

SCHEMBL10364003

C=CC(=O)NCCCCOc1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 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
SCHEMBL10809452 0.93 KDM4E (0.51) MTNR1AMTNR1BALDH1A1L3MBTL1KDM4E
SCHEMBL10805489 0.90 ZDHHC2 (0.55) ALDH1A1KDM4E
SCHEMBL10363985 0.89 ZDHHC20 (0.49) MTNR1AMTNR1BKMT2ANPC1RECQL
SCHEMBL10809535 0.87 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1L3MBTL1KDM4E
SCHEMBL10362447 0.87 HPGD (0.60) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL10364151 0.86 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1KMT2ANPC1
SCHEMBL10807803 0.86 ALDH1A1 (0.47) MTNR1AMTNR1BALDH1A1KMT2AKDM4E
SCHEMBL10362351 0.85 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL10362343 0.85 POLB (0.60) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL10364060 0.85 MAOB (0.48) KMT2AMEN1RAB9A

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