SCHEMBL8744770

SCHEMBL8744770

CCOC(=O)[C@@H](NC(=O)Cc1c(C)cc(C)cc1C)[C@@H](C)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 3/20 0.37
PSMB5 P28074 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NLRP3 Q96P20 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.34
GFER P55789 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9596067 1.00 PYGL (0.38) PYGLCYP2C9LMNAPSMB5ALDH1A1
SCHEMBL9595171 0.88 ALDH1A1 (0.42) LMNAPSMB5ALDH1A1NLRP3SMN1; SMN2
SCHEMBL8744786 0.88 ALDH1A1 (0.42) LMNAPSMB5ALDH1A1NLRP3SMN1; SMN2
SCHEMBL8744751 0.86 PYGL (0.48) PYGLCYP2C9LMNAPSMB5L3MBTL1
SCHEMBL9594066 0.86 KMT2A (0.42) PYGLCYP2C9LMNAPSMB5ALDH1A1
SCHEMBL8744759 0.86 KMT2A (0.42) PYGLCYP2C9LMNAPSMB5ALDH1A1
SCHEMBL8744745 0.86 PYGL (0.48) PYGLCYP2C9LMNAPSMB5L3MBTL1
SCHEMBL9595368 0.82 LMNA (0.41) LMNAPSMB5NLRP3SMN1; SMN2L3MBTL1
SCHEMBL8744813 0.82 LMNA (0.41) LMNAPSMB5NLRP3SMN1; SMN2L3MBTL1
SCHEMBL9594891 0.81 TAS1R3 (0.49) CYP2C9LMNAPSMB5ALDH1A1SMN1; SMN2

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