SCHEMBL11158554

SCHEMBL11158554

CCOC(=O)/C=C1/NC(=O)N(C2CCCCC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 4/20 0.44
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 5/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11158557 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1KDM4EHSD17B10
SCHEMBL10962063 0.76 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1KDM4EHSD17B10
SCHEMBL11158162 0.73 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4EHSD17B10CASP1
SCHEMBL11158160 0.73 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4EHSD17B10CASP1
SCHEMBL11088608 0.70 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1KDM4EKMT2A
SCHEMBL11215833 0.64 MAPK1 (0.47) ALDH1A1MAPK1KDM4EHSD17B10CASP1
SCHEMBL11215831 0.64 MAPK1 (0.47) ALDH1A1MAPK1KDM4EHSD17B10CASP1
SCHEMBL6231307 0.64 MAPT (0.47) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL8348401 0.63 ESR2 (0.48) ALDH1A1TSHRMAPK1KDM4EHSD17B10
SCHEMBL8348944 0.63 ESR2 (0.48) ALDH1A1TSHRMAPK1KDM4EHSD17B10

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-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 US disclosed