SCHEMBL7472706

SCHEMBL7472706

CC(C)(C)OC(=O)CCCOc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.48
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 6/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6248780 0.87 LTA4H (0.51) HDAC8CA12CA1CA2CA9
SCHEMBL25367299 0.86 L3MBTL1 (0.56) HDAC8L3MBTL1
SCHEMBL6439701 0.84 PPARA (0.54) HDAC8L3MBTL1GAA
SCHEMBL25363631 0.84 POLB (0.54) HDAC8GAA
SCHEMBL25362868 0.84 SMN1; SMN2 (0.49) HDAC8CA12CA1CA2CA9
SCHEMBL16673260 0.84 L3MBTL1 (0.52) TDP1TSHRL3MBTL1
SCHEMBL21017964 0.84 HDAC8 (0.43) HDAC8CA12CA1CA2CA9
SCHEMBL31522349 0.83 KMT2A (0.47) HDAC8GAA
SCHEMBL18720317 0.83 PLA2G4B (0.57) TDP1TSHRL3MBTL1
SCHEMBL3170185 0.83 HDAC8 (0.43) HDAC8CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed