SCHEMBL8090599

SCHEMBL8090599

COC(=O)CC(C)(C)CC(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8090783 0.86 ALDH1A1 (0.46) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL8096860 0.85 ALDH1A1 (0.46) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL837451 0.81 ALDH1A1 (0.56) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL1525623 0.79 ALDH1A1 (0.54) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL8096852 0.78 NPC1 (0.38) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL8094260 0.77 MAPT (0.57) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL28940593 0.75 IDO1 (0.54) KMT2AL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL812302 0.74 EGLN1 (0.41) ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1137595 0.74 RECQL (0.47) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL8094445 0.73 RECQL (0.44) ALDH1A1HTTKDM4EKMT2AL3MBTL1

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
US-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed