SCHEMBL7960768

SCHEMBL7960768

CCC(CC)(NC(=O)Cc1ccc(OC)cc1C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
EPHX2 P34913 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL7964621 0.90 MEN1 (0.43) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL6475221 0.87 MEN1 (0.44) MEN1KMT2AHTTALDH1A1
SCHEMBL7958008 0.84 SHMT1 (0.50) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL7950147 0.82 KMT2A (0.39) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL8655125 0.81 P2RX7 (0.44) ANO1
SCHEMBL6995171 0.81 MEN1 (0.43) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL6987357 0.79 MEN1 (0.42) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL8569927 0.79 MEN1 (0.49) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL7960894 0.78 MEN1 (0.44) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL6483829 0.77 MEN1 (0.44) MEN1KMT2AHTTALDH1A1ANO1

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