SCHEMBL7961955

SCHEMBL7961955

COc1ccc(C(C)C(=O)NC2(C(=O)O)CCC(C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.44
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
GPR132 Q9UNW8 1/20 0.38
TRPM8 Q7Z2W7 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
SCHEMBL7960746 0.90 GPR88 (0.44) GPR88SMYD3GAAKMT2AMEN1
SCHEMBL7950117 0.90 POLB (0.42) GPR88POLBHPGDSMYD3GAA
SCHEMBL7949841 0.89 GPR88 (0.44) GPR88SMYD3GAAKMT2AMEN1
SCHEMBL8698327 0.87 GPR88 (0.48) GPR88GAAKMT2AMEN1
SCHEMBL7960096 0.87 ALDH1A1 (0.42) GPR88SMYD3GAAKMT2AMEN1
SCHEMBL7960895 0.87 GPR88 (0.45) GPR88SMYD3GAAKMT2AMEN1
SCHEMBL7961902 0.87 GPR88 (0.42) GPR88POLBSMYD3GAAKMT2A
SCHEMBL6475744 0.87 POLB (0.39) GPR88POLBHPGDSMYD3GAA
SCHEMBL7950103 0.86 GPR88 (0.41) GPR88POLBSMYD3GAACYP3A4
SCHEMBL8701623 0.86 GPR88 (0.47) GPR88GAAKMT2AMEN1

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