SCHEMBL7964610

SCHEMBL7964610

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.54
TAS1R1 Q7RTX1 9/20 0.54
ANPEP P15144 3/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6994293 1.00 TAS1R3 (0.54) TAS1R3TAS1R1ANPEPATMMEN1
SCHEMBL7000904 0.90 ALDH1A1 (0.53) ANPEPATMMEN1KMT2A
SCHEMBL7000909 0.90 ALDH1A1 (0.53) ANPEPATMMEN1KMT2A
SCHEMBL8555850 0.86 NOS3 (0.52) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL8654231 0.86 NOS3 (0.52) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL6475208 0.86 TAS1R3 (0.53) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL4435078 0.86 TAS1R3 (0.53) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL6995409 0.85 MEN1 (0.50) MEN1KMT2A
SCHEMBL7961893 0.85 MEN1 (0.50) MEN1KMT2A
SCHEMBL7958352 0.83 ALDH1A1 (0.53) TAS1R3TAS1R1MEN1KMT2A

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