SCHEMBL8420872

SCHEMBL8420872

C=CCn1c(=O)n(CC=C)c(=O)n(C(CC)[Si](OC)(OC)OC)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.35
ADORA2B P29275 4/20 0.35
ADORA2A P29274 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
APLNR P35414 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G4A P47712 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.31

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
SCHEMBL4603203 0.80
SCHEMBL19498758 0.71 CYP3A4 (0.67) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL5068714 0.70 CYP3A4 (0.59) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL28662 0.70 CYP3A4 (1.00) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL9246057 0.68 CYP3A4 (0.76) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL4106167 0.68 CYP3A4 (0.76) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL12158561 0.68 CYP3A4 (0.55) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL12158562 0.68 CYP3A4 (0.55) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL20990473 0.68 CYP3A4 (0.67) CYP3A4NPSR1MAPTADORA2BADORA2A
SCHEMBL15143908 0.68 CYP3A4 (0.67) CYP3A4NPSR1MAPTADORA2BADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6001796-A None JP disclosed
EP-0441638-B1 Light sensitive litho printing plate KONISHIROKU PHOTO IND (JP) 1999-10-13 EP disclosed
JP-H061796-A PRODUCTION OF ORGANOSILICON-CONTAINING ISOCYANURATE SHIN ETSU CHEM CO LTD 1994-01-11 JP disclosed
EP-0320945-A2 Process for the development of dry PS plates FUJI PHOTO FILM CO., LTD. (JP) 1989-06-21 EP disclosed