SCHEMBL10364062

SCHEMBL10364062

C=CC(=O)NCCCCOc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ BRCA1 P38398 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ TTR P02766 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL10807361 0.92 TGM2 (0.42) AURKAAURKBKMT2ABRCA1KDM4E
SCHEMBL10802603 0.87 KMT2A (0.43) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL10805774 0.82 TGM2 (0.43) AURKAAURKBKMT2ABRCA1TGM2
SCHEMBL10810349 0.81 TGM2 (0.42) KMT2AKDM4EALDH1A1TGM2GAA
SCHEMBL10804942 0.80 KCNA3 (0.51) KMT2AKDM4EALDH1A1TTRTGM2
SCHEMBL10818993 0.78 GAA (0.54) KMT2AKDM4EALDH1A1L3MBTL1TGM2
SCHEMBL10362443 0.78 GAA (0.49) KMT2AKDM4EALDH1A1TGM2SMN1; SMN2
SCHEMBL10363161 0.77 TGM2 (0.51) KMT2AKDM4EALDH1A1MAPTTGM2
SCHEMBL10805447 0.77 TGM2 (0.42) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL10803446 0.77 TGM2 (0.56) KMT2AKDM4EALDH1A1MEN1HSD17B10

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
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