SCHEMBL7958008

SCHEMBL7958008

COc1ccc(CC(=O)NC(C)(C)C(=O)O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ANO1 Q5XXA6 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SHMT2 P34897 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.40
WNT3A P56704 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
SCHEMBL7960894 0.89 MEN1 (0.44) SHMT1MEN1KMT2AANO1HTT
SCHEMBL6482516 0.86 SHMT1 (0.48) SHMT1MEN1KMT2AANO1HTT
SCHEMBL7960768 0.84 MEN1 (0.46) MEN1KMT2AANO1HTTHSD17B10
SCHEMBL6995171 0.83 MEN1 (0.43) SHMT1MEN1KMT2AANO1HTT
SCHEMBL6987357 0.81 MEN1 (0.42) MEN1KMT2AANO1HTTHSD17B10
SCHEMBL7960861 0.81 SHMT1 (0.45) SHMT1MEN1KMT2AHTTHPGD
SCHEMBL8569927 0.81 MEN1 (0.49) MEN1KMT2AHTTHSD17B10ALDH1A1
SCHEMBL8651252 0.80 SHMT1 (0.55) SHMT1SHMT2
SCHEMBL4664847 0.79 HSD17B10 (0.65) MEN1KMT2AHTTHSD17B10POLB
SCHEMBL7964621 0.78 MEN1 (0.43) MEN1KMT2AANO1HTTHSD17B10

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-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed