SCHEMBL5068338

SCHEMBL5068338

C=CCn1c(=O)ssc1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADORA2B P29275 3/20 0.34
ADORA2A P29274 1/20 0.34
CASP3 P42574 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
USP2 O75604 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL28662 0.75 CYP3A4 (1.00) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL10997976 0.70 CYP3A4 (0.79) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL13278595 0.70 CYP3A4 (0.54) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL4622249 0.69 CYP3A4 (0.46) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL18368139 0.68 CYP3A4 (0.84) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL7646099 0.68 CYP3A4 (0.59) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL10799429 0.68 CYP3A4 (0.84) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL4615637 0.68 MAPT (0.48) CYP3A4KMT2AKDM4ESMN1; SMN2GAA
SCHEMBL157928 0.67 CYP3A4 (0.71) CYP3A4NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL18194710 0.67 CYP3A4 (0.80) CYP3A4NPSR1CYP1A2CYP2D6KMT2A

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
US-7442758-B2 Polymer that has in its side chain a structure capable of intramolecularly forming a disulfide bond; low temperature operation, large capacities; for example 5-hydroxy-1,2-dithian-4-yl acrylate; cathode material SENSA CORPORATION (JP) 2008-10-28 US disclosed
US-7442758-B2 Polymer that has in its side chain a structure capable of intramolecularly forming a disulfide bond; low temperature operation, large capacities; for example 5-hydroxy-1,2-dithian-4-yl acrylate; cathode material SENSA CORPORATION (JP) 2008-10-28 US disclosed
US-7442758-B2 Polymer that has in its side chain a structure capable of intramolecularly forming a disulfide bond; low temperature operation, large capacities; for example 5-hydroxy-1,2-dithian-4-yl acrylate; cathode material SENSA CORPORATION (JP) 2008-10-28 US disclosed
US-20050142441-A1 Polymer that has in its side chain a structure capable of intramolecularly forming a disulfide bond; low temperature operation, large capacities; for example 5-hydroxy-1,2-dithian-4-yl acrylate; cathode material POLYTHIONE CO., LTD. (JP) 2005-06-30 US disclosed