SCHEMBL8744720

SCHEMBL8744720

O=C(Cc1c(Cl)cccc1Cl)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
FPR2 P25090 1/20 0.56
SHMT1 P34896 1/20 0.52
MME P08473 1/20 0.51
ACE P12821 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GPR34 Q9UPC5 3/20 0.50
GPR132 Q9UNW8 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
SCN3A Q9NY46 1/20 0.49

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
SCHEMBL8744724 1.00 PRSS1 (0.57) PRSS1PRSS2PRSS3FPR2SHMT1
SCHEMBL8744762 0.85 TP53 (0.56) PRSS1PRSS2PRSS3
SCHEMBL10504767 0.83 ITGB3 (0.65) MMEACEL3MBTL1ITGB3ITGA2B
SCHEMBL4144668 0.83 ITGB3 (0.65) MMEACEL3MBTL1ITGB3ITGA2B
SCHEMBL4144665 0.83 ITGB3 (0.65) MMEACEL3MBTL1ITGB3ITGA2B
SCHEMBL17429226 0.81 ACE (0.56) PRSS1PRSS2PRSS3MMEACE
SCHEMBL8744789 0.80 GRN (0.56) CA1CA2
SCHEMBL8744785 0.80 GRN (0.56) CA1CA2
SCHEMBL11187302 0.80 PTGS2 (0.61) FPR2CTSGCMA1CA1CA2
SCHEMBL4066390 0.79 L3MBTL1 (0.69) FPR2L3MBTL1

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-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed