SCHEMBL5597746

SCHEMBL5597746

CC(C)C(C)OC(=O)C(=O)c1ccccc1CCl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
KMT2A Q03164 1/20 0.35
HSP90AB1 P08238 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
USP2 O75604 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL5597965 0.88 TSHR (0.40) ALDH1A1TSHRKMT2AHSP90AB1TP53
SCHEMBL5597855 0.81 HIF1A (0.45) ALDH1A1TSHRKMT2AHSP90AB1LMNA
SCHEMBL3306441 0.79 ALDH1A1 (0.42) ALDH1A1TSHRKMT2ALMNA
SCHEMBL5597694 0.79 ALDH1A1 (0.54) ALDH1A1TSHRKMT2ALMNATP53
SCHEMBL5597674 0.77 HTT (0.43) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL5597833 0.76 TSHR (0.50) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL5598069 0.75 MAPT (0.41) ALDH1A1TSHRKMT2AHSP90AB1LMNA
SCHEMBL8455285 0.74 PRSS1 (0.42) ALDH1A1TSHRKMT2ALMNATP53
SCHEMBL5597695 0.74 ALDH1A1 (0.53) ALDH1A1TSHRLMNATP53SMN1; SMN2
SCHEMBL5597998 0.73 TSHR (0.35) ALDH1A1TSHRLMNAL3MBTL1CASP3

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-0765304-B2 METHOD OF PREPARING ALPHA-METHOXYIMINOCARBOXYLIC ACID METHYLAMIDES, AND INTERMEDIATES USED IN THE METHOD BAYER CROPSCIENCE AG (DE) 2007-08-22 EP claimed