SCHEMBL7961970

SCHEMBL7961970

COC(=O)C(C)NC(=O)Cc1c(C)cc(C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
PTGS2 P35354 2/20 0.43
RECQL P46063 2/20 0.42
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
LPAR1 Q92633 1/20 0.42
TSHR P16473 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
GPR183 P32249 1/20 0.38

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
SCHEMBL6990018 1.00 MEN1 (0.43) MEN1KMT2AHTTPTGS2RECQL
SCHEMBL6990342 0.89 SHMT2 (0.44) MEN1KMT2ALMNARXFP1LPAR1
SCHEMBL6990345 0.89 SHMT2 (0.44) MEN1KMT2ALMNARXFP1LPAR1
SCHEMBL6993048 0.87 TAS1R3 (0.44) HTTLMNARXFP1LPAR1TAS1R3
SCHEMBL7950138 0.87 TAS1R3 (0.44) HTTLMNARXFP1LPAR1TAS1R3
SCHEMBL7959631 0.86 TAS1R3 (0.55) TAS1R3TAS1R1
SCHEMBL6990895 0.86 TAS1R3 (0.55) TAS1R3TAS1R1
SCHEMBL7950079 0.85 ALDH1A1 (0.45) KMT2AHTTLMNARXFP1LPAR1
SCHEMBL6998473 0.85 ALDH1A1 (0.45) KMT2AHTTLMNARXFP1LPAR1
SCHEMBL6990078 0.83 PTGS2 (0.48) MEN1KMT2AHTTPTGS2RECQL

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