SCHEMBL21612893

SCHEMBL21612893

CC(C)(C)OC(=O)COCCOCCOCCOc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
PTK2B Q14289 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 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
SCHEMBL21612913 0.99 ALDH1A1 (0.34) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5177256 0.86 PTPN1 (0.39) ALDH1A1KDM4ELMNAKMT2APTPN1
SCHEMBL16390959 0.82 HDAC8 (0.36) ALDH1A1KDM4ELMNATDP1
SCHEMBL3793478 0.80 KDM4E (0.37) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL18858804 0.79 PKM (0.46) ALDH1A1KDM4EPTPN1MAPTPOLB
SCHEMBL29068363 0.75 CA12 (0.50) TDP1CYP2C19BCHECNR2
SCHEMBL25182441 0.74 APLNR (0.35) ALDH1A1KDM4ESMN1; SMN2TDP1POLB
SCHEMBL20535201 0.74 APLNR (0.35) ALDH1A1KDM4ESMN1; SMN2TDP1POLB
SCHEMBL20535616 0.74 APLNR (0.35) ALDH1A1KDM4ESMN1; SMN2TDP1POLB
SCHEMBL20535618 0.74 APLNR (0.35) ALDH1A1KDM4ESMN1; SMN2TDP1POLB

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
WO-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed