SCHEMBL8744796

SCHEMBL8744796

CSCC[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.58
NPSR1 Q6W5P4 2/20 0.52
FNTA P49354 4/20 0.52
FNTB P49356 4/20 0.52
PGGT1B P53609 2/20 0.52
ATM Q13315 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.48
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8744787 1.00 LMNA (0.58) LMNAPKMNPSR1FNTAFNTB
SCHEMBL9595460 0.85 LMNA (0.51) LMNAPKMNPSR1ATMCA1
SCHEMBL8744707 0.85 LMNA (0.51) LMNAPKMNPSR1ATMCA1
SCHEMBL2331097 0.81 FNTA (0.61) NPSR1FNTAFNTBPGGT1BMAPK1
SCHEMBL2331099 0.81 FNTA (0.61) NPSR1FNTAFNTBPGGT1BMAPK1
SCHEMBL11189541 0.81 PTGS2 (0.56) LMNAPKMFNTAFNTBCA1
SCHEMBL11189543 0.81 PTGS2 (0.56) LMNAPKMFNTAFNTBCA1
SCHEMBL8744789 0.80 GRN (0.56) LMNACA1CA2MAPK1ALDH1A1
SCHEMBL8744785 0.80 GRN (0.56) LMNACA1CA2MAPK1ALDH1A1
SCHEMBL11615639 0.79 NPSR1 (0.61) LMNAPKMNPSR1ATMCA1

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