SCHEMBL11353033

SCHEMBL11353033

C=CCC(OC(=O)C1CC1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ALOX5 P09917 1/20 0.36
AOC3 Q16853 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
JAK1 P23458 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
SCHEMBL10883814 0.84 CYP2C19 (0.47) L3MBTL1KDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL2332350 0.83 MEN1 (0.43) MAPTALOX5AOC3HDAC1HDAC8
SCHEMBL2332343 0.83 MEN1 (0.43) MAPTALOX5AOC3HDAC1HDAC8
SCHEMBL2333803 0.83 MEN1 (0.43) MAPTALOX5AOC3HDAC1HDAC8
SCHEMBL11353061 0.81 L3MBTL1 (0.46) L3MBTL1MAPTSLC6A3KDM4EMEN1
SCHEMBL11363300 0.76 L3MBTL1 (0.49) L3MBTL1SLC6A3MEN1KMT2ASMN1; SMN2
SCHEMBL11351720 0.75 L3MBTL1 (0.48) L3MBTL1MAPTSLC6A3MEN1ALDH1A1
SCHEMBL11352241 0.74 AOC3 (0.41) MAPTSLC6A3ALOX5AOC3HDAC1
SCHEMBL11353078 0.74 L3MBTL1 (0.47) L3MBTL1MAPTSLC6A3MEN1KMT2A
SCHEMBL11362290 0.73 L3MBTL1 (0.46) L3MBTL1MAPTSLC6A3MEN1KMT2A

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-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 US disclosed