SCHEMBL7950117

SCHEMBL7950117

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
HPGD P15428 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
OPRK1 P41145 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7961955 0.90 GPR88 (0.44) POLBGPR88HPGDSMYD3KMT2A
SCHEMBL7960084 0.90 GPR88 (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL7957654 0.89 KMT2A (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL8655548 0.88 GAA (0.38) HPGDGAATRPV1
SCHEMBL7960740 0.87 GPR88 (0.45) GPR88KMT2AGAAMEN1CYP3A4
SCHEMBL7958038 0.87 GPR88 (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL7960983 0.87 KMT2A (0.42) GPR88SMYD3KMT2AGAAMEN1
SCHEMBL7961516 0.87 GPR88 (0.40) POLBGPR88SMYD3KMT2AGAA
SCHEMBL6474518 0.87 POLB (0.39) POLBHPGDSMYD3KMT2AGAA
SCHEMBL7960535 0.86 GPR88 (0.39) POLBGPR88HPGDSMYD3GAA

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