SCHEMBL8744788

SCHEMBL8744788

Cc1cc(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ACE P12821 5/20 0.53
TACR1 P25103 1/20 0.51
NFKB1 P19838 1/20 0.51
MME P08473 2/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PSMB8 P28062 1/20 0.48
PSMB5 P28074 1/20 0.48

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
SCHEMBL8744782 1.00 L3MBTL1 (0.57) L3MBTL1ACETACR1NFKB1MME
SCHEMBL9594563 0.88 TACR1 (0.57) L3MBTL1TACR1CTSLCTSBCTSS
SCHEMBL8744805 0.88 TACR1 (0.57) L3MBTL1TACR1CTSLCTSBCTSS
SCHEMBL8744826 0.87 ITGB1 (0.54) L3MBTL1ITGB1ITGA4ITGB3
SCHEMBL8744821 0.87 ITGB1 (0.54) L3MBTL1ITGB1ITGA4ITGB3
SCHEMBL1458962 0.86 TACR1 (0.56) L3MBTL1ACETACR1MMECPA1
SCHEMBL1458913 0.86 TACR1 (0.56) L3MBTL1ACETACR1MMECPA1
SCHEMBL1459337 0.86 TACR1 (0.56) L3MBTL1ACETACR1MMECPA1
SCHEMBL8744709 0.83 ACE (0.55) ACE
SCHEMBL8744713 0.83 ACE (0.55) ACE

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
EP-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed