SCHEMBL7663193

SCHEMBL7663193

COc1ccc(C(=O)CC(N)CC(=O)OCCCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
GSK3B P49841 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ESR2 Q92731 1/20 0.42
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL7665297 0.83 TP53 (0.48) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7697529 0.80 KMT2A (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7663189 0.76 TAS1R3 (0.49) MAPTCA1CA2NPC1RAB9A
SCHEMBL5348693 0.75 SMN1; SMN2 (0.60) MAPTGSK3BCA1CA2ESR2
SCHEMBL11734218 0.73 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8943149 0.73 HDAC3 (0.51) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7802060 0.72 L3MBTL1 (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7797596 0.72 L3MBTL1 (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7797595 0.72 L3MBTL1 (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5193896 0.71 HDAC3 (0.58) MAPTHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP claimed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO claimed
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US disclosed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP disclosed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO disclosed