SCHEMBL16962139

SCHEMBL16962139

COc1ccc(OC)c([C](C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL29581343 0.83 MAPT (0.68) MAPTHTTNPSR1CA12CA1
SCHEMBL19122280 0.83 MAPT (0.58) MAPTHTTNPSR1CA12CA1
SCHEMBL885028 0.83 MAPT (0.68) MAPTHTTNPSR1CA12CA1
SCHEMBL16954389 0.83 MAPT (0.51) MAPTHTTNPSR1CA12CA1
SCHEMBL16954494 0.83 KDM4E (0.50) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL16961942 0.83 MAPT (0.45) MAPTHTTNPSR1CA12CA1
SCHEMBL8037824 0.83 MAPT (0.69) MAPTHTTCA12CA1CA2
SCHEMBL16960187 0.81 MAPT (0.44) MAPTHTTNPSR1CA12CA1
SCHEMBL16952052 0.81 MAPT (0.45) MAPTHTTNPSR1CA12CA1
SCHEMBL12228747 0.81 MAPT (0.82) MAPTHTTNPSR1CA12CA1

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed