SCHEMBL17778591

SCHEMBL17778591

CC(=O)C1C=CC(=O)C=C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
ALDH1A1 P00352 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MDM2 Q00987 1/20 0.35
DHODH Q02127 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL19763394 0.77 ALDH1A1 (0.33) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL3262998 0.76 POLB (0.37) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL11076557 0.73 DNTT (0.37) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL28740542 0.69
SCHEMBL30596393 0.69
SCHEMBL10019921 0.69 MIF (0.35) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL13508819 0.69 POLB (0.38) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL1916998 0.67 ALDH1A1 (0.57) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL7548542 0.67 ALDH1A1 (0.57) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL2444081 0.65

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-2016077954-A1 BIOPESTICIDE COMPOSITIONS AND METHODS FOR THEIR PREPARATION AND USE EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-26 WO disclosed