SCHEMBL7543714

SCHEMBL7543714

COC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3o2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.48
PPARD Q03181 5/20 0.44
CETP P11597 2/20 0.43
RAF1 P04049 1/20 0.42
GSTP1 P09211 1/20 0.41
KDR P35968 4/20 0.41
TEK Q02763 1/20 0.41
PPARA Q07869 1/20 0.40
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BRAF P15056 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
SCHEMBL7541056 0.91 CETP (0.44) AGPAT2PPARDCETPRAF1GSTP1
SCHEMBL7541510 0.88 AGPAT2 (0.50) AGPAT2KDRLMNAMAPTRXFP1
SCHEMBL7545106 0.87 CEPT1 (0.42) AGPAT2KDRLMNAMAPTRXFP1
SCHEMBL7547607 0.87 MAPT (0.46) AGPAT2PPARDKDRLMNAMAPT
SCHEMBL7544976 0.86 AGPAT2 (0.58) AGPAT2CETPKDRTEKLMNA
SCHEMBL7544792 0.85 AGPAT2 (0.51) AGPAT2PPARDCETPLMNAMAPT
SCHEMBL7547344 0.85 ALOX5AP (0.43) AGPAT2KDRLMNAMAPTRXFP1
SCHEMBL7541413 0.84 LMNA (0.47) AGPAT2KDRLMNAMAPT
SCHEMBL7550333 0.82 MAPT (0.46) AGPAT2KDRLMNAMAPT
SCHEMBL7542077 0.82 CEPT1 (0.42) AGPAT2GSTP1KDRLMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed