SCHEMBL8744707

SCHEMBL8744707

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PPID Q08752 1/20 0.49
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL9595460 1.00 LMNA (0.51) LMNAALDH1A1RECQLNPSR1PPID
SCHEMBL8744787 0.85 LMNA (0.58) LMNAALDH1A1NPSR1PKMCA1
SCHEMBL8744796 0.85 LMNA (0.58) LMNAALDH1A1NPSR1PKMCA1
SCHEMBL8744783 0.81 PPID (0.46) LMNAALDH1A1PPIDHPGDPOLB
SCHEMBL2330757 0.81 PPID (0.55) PPIDPOLBL3MBTL1
SCHEMBL9593906 0.81 USP2 (0.50) PPIDPOLBL3MBTL1USP2TAS1R3
SCHEMBL2330760 0.81 PPID (0.55) PPIDPOLBL3MBTL1
SCHEMBL8744792 0.81 USP2 (0.50) PPIDPOLBL3MBTL1USP2TAS1R3
SCHEMBL9594765 0.81 PPID (0.46) LMNAALDH1A1PPIDHPGDPOLB
SCHEMBL8744762 0.81 TP53 (0.56) ALDH1A1POLB

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