SCHEMBL9769607

SCHEMBL9769607

C=COC(=O)CC/C=C/C(=O)O.C=COC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
AKT1 P31749 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TNF P01375 1/20 0.36
KLF5 Q13887 1/20 0.36
NOD1 Q9Y239 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SRD5A2 P31213 1/20 0.35
RXRA P19793 2/20 0.34
NR4A2 P43354 1/20 0.34
RXRB P28702 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9769638 0.91 SNCA (0.39) NPSR1AKT1TDP1MAPTL3MBTL1
Benzoic Acid Vinyl Ester SCHEMBL9769627 0.85 AKT1 (0.49) AKT1TDP1MAPTALDH1A1LMNA
Crotonic Acid SCHEMBL15350519 0.81 TNF (0.45) NPSR1TDP1MAPTL3MBTL1TNF
Crotonic Acid SCHEMBL15350522 0.81 TNF (0.45) NPSR1TDP1MAPTL3MBTL1TNF
SCHEMBL109622 0.80 MAPT (0.49) TDP1MAPTL3MBTL1TNFKLF5
Acetic Acid SCHEMBL8097732 0.79 MAPT (0.49) NPSR1TDP1MAPTL3MBTL1TNF
SCHEMBL7715560 0.79 TDP1 (0.35) AKT1TDP1MAPTRXRARXRB
SCHEMBL2340250 0.77 TSHR (0.37) NPSR1AKT1TDP1MAPTALDH1A1
Maleic Acid SCHEMBL11066791 0.76 AKT1 (0.36) NPSR1AKT1TDP1MAPTALDH1A1
SCHEMBL868580 0.73 AKT1 (0.36) NPSR1AKT1TDP1MAPTRXRA

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
US-5006433-A Printing plate precursors for electrophotographic plate-making purposes FUJI PHOTO FILM CO., LTD. (JP) 1991-04-09 US disclosed