SCHEMBL21980698

SCHEMBL21980698

COc1ccc(COC(c2ccccc2)[C@H](C)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
AOC3 Q16853 1/20 0.47
LTA4H P09960 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.44
TACR1 P25103 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACP3 P15309 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42

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
SCHEMBL19714109 1.00 ATM (0.48) ATMAOC3LTA4HKMT2AMEN1
SCHEMBL17901117 1.00 ATM (0.48) ATMAOC3LTA4HKMT2AMEN1
SCHEMBL19726546 0.85 AOC3 (0.47) ATMAOC3LTA4HKMT2AMEN1
SCHEMBL28508515 0.82 ATM (0.48) ATMAOC3LTA4HKMT2AMEN1
SCHEMBL21440869 0.82 ATM (0.48) ATMAOC3LTA4HKMT2AMEN1
SCHEMBL17896161 0.82 ATM (0.48) ATMAOC3LTA4HKMT2AMEN1
SCHEMBL3932308 0.79 LTA4H (0.58) ATMAOC3LTA4HKMT2AMEN1
SCHEMBL21980708 0.78 LTA4H (0.49) AOC3LTA4HKMT2AMEN1TDP1
SCHEMBL17901310 0.78 LTA4H (0.49) AOC3LTA4HKMT2AMEN1TDP1
SCHEMBL17892005 0.78 LTA4H (0.49) AOC3LTA4HKMT2AMEN1TDP1

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-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 EP disclosed