SCHEMBL7960084

SCHEMBL7960084

COC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2)CCC(OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.42
SMYD3 Q9H7B4 2/20 0.41
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL7950117 0.90 POLB (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL7960746 0.90 GPR88 (0.44) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL7957654 0.89 KMT2A (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL6481442 0.88 SMYD3 (0.37) SMYD3KMT2ACYP3A4ALDH1A1CYP2D6
SCHEMBL8653787 0.88 GAA (0.38) GAAMAPT
SCHEMBL7960740 0.87 GPR88 (0.45) GPR88KMT2AGAAMEN1CYP3A4
SCHEMBL7960983 0.87 KMT2A (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL7958038 0.87 GPR88 (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL7964442 0.86 GPR88 (0.44) GPR88KMT2AGAAMEN1MAPT
SCHEMBL7949726 0.86 GPR88 (0.44) GPR88KMT2AGAAMEN1MAPT

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