Ether

Ether

SCHEMBL6260412

C/C(C(N)=O)=C(/C)c1ccc(/C(C)=C(\C)C(N)=O)cc1.CCOCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.44
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
CREBBP Q92793 1/20 0.39
MAPK1 P28482 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
ESR1 P03372 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ESR2 Q92731 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HTT P42858 1/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL59796 0.85 NOS1 (0.43) PARP10LMNACA1CA2CA12
Terephthalamide SCHEMBL7508921 0.79 PARP10 (0.67) PARP10CYP3A4MAPK1CA1CA2
SCHEMBL28379400 0.76 CA1 (0.64) PARP10MAPK1CA1CA2PRSS1
SCHEMBL28377559 0.75 MAPT (0.51) LMNAMAPK1CA1CA2RAB9A
SCHEMBL28382081 0.75 LMNA (0.50) LMNACYP1A2MAPK1CA1CA2
SCHEMBL28379021 0.75 CES2 (0.50) CYP1A2CA1CA2NPC1RAB9A
SCHEMBL4744665 0.74 TSHR (0.54) LMNACYP3A4CA1CA2CA12
SCHEMBL4744670 0.74 TSHR (0.54) LMNACYP3A4CA1CA2CA12
Ether SCHEMBL442290 0.72
SCHEMBL28375643 0.72 ALDH1A1 (0.52) PARP10HSD17B10L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513020-A2 Photosensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2005-03-09 EP disclosed