SCHEMBL6479959

SCHEMBL6479959

COc1cc(Cl)ccc1CC(=O)NC1(C(=O)O)CCC(C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SHMT1 P34896 2/20 0.40
SHMT2 P34897 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
XIAP P98170 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
SCHEMBL6473620 0.92 LPAR1 (0.44) LPAR1MEN1KMT2AGAAKDM4E
SCHEMBL6480025 0.89 GAA (0.44) LPAR1MEN1KMT2ASHMT1SHMT2
SCHEMBL6474846 0.88 MEN1 (0.42) LPAR1MEN1KMT2ASHMT1SHMT2
SCHEMBL8657003 0.87 SHMT1 (0.43) SHMT1SHMT2LMNA
SCHEMBL8906957 0.87 SHMT1 (0.47) MEN1KMT2ASHMT1SHMT2
SCHEMBL6475325 0.87 MEN1 (0.41) LPAR1MEN1KMT2ASHMT1SHMT2
SCHEMBL6483689 0.87 KMT2A (0.41) LPAR1MEN1KMT2ASHMT1SHMT2
SCHEMBL6474979 0.86 LPAR1 (0.51) LPAR1MEN1KMT2ASHMT1SHMT2
SCHEMBL6474884 0.85 LPAR1 (0.52) LPAR1MEN1KMT2ASHMT1SHMT2
SCHEMBL6473570 0.85 LPAR1 (0.52) LPAR1MEN1KMT2ASHMT1SHMT2

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-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed