SCHEMBL22672249

SCHEMBL22672249

COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3)cc2O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.65
ALOX5AP P20292 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 9/20 0.58
NPSR1 Q6W5P4 6/20 0.58
MAPK1 P28482 4/20 0.58
NOD2 Q9HC29 1/20 0.58
POLB P06746 1/20 0.53
KDM4E B2RXH2 4/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HSP90AA1 P07900 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL30203999 1.00 ALOX5 (0.65) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL30203921 0.91 ALOX5 (0.59) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL22671962 0.86 MAPT (0.72) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL30203871 0.84 MAPT (0.66) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL2947037 0.84 MAPT (0.66) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL2940825 0.83 SMN1; SMN2 (0.48) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL11994492 0.83 ALOX5 (0.48) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL2946439 0.82 ALOX5 (0.53) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL2939968 0.81 SMN1; SMN2 (0.46) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1
SCHEMBL12939004 0.81 ALOX5 (0.46) ALOX5ALOX5APSMN1; SMN2MAPTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020231979-A9 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-06-17 WO disclosed
WO-2020231979-A1 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-11-19 WO disclosed