SCHEMBL15965757

SCHEMBL15965757

CCCC(CP(=O)(O)CCC)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCLC P48506 1/20 0.57
CHRM1 P11229 1/20 0.56
AKR1A1 P14550 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GRM3 Q14832 2/20 0.53
FOLH1 Q04609 5/20 0.50
GRIK1 P39086 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIK2 Q13002 1/20 0.44

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
SCHEMBL25500315 0.87 GRM3 (0.73) GCLCGRM3FOLH1NAALAD2
SCHEMBL1377526 0.87 GRM3 (0.73) GCLCGRM3FOLH1NAALAD2
SCHEMBL2742758 0.86 CHRM1 (0.58) GCLCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL14927201 0.84 GCLC (0.82) GCLCFOLH1GRIK1SLC1A3SLC1A2
SCHEMBL11959173 0.84 GCLC (0.54) GCLCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL5057870 0.82 FOLH1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5060255 0.81 GRM3 (0.82) GRM3FOLH1NAALAD2
SCHEMBL8470656 0.81 GRM3 (0.55) GCLCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL14132722 0.80 GCLC (0.49) GCLCCHRM1AKR1A1CHRM3HTR2A
Valproic Acid SCHEMBL27811699 0.79 CHRM1 (0.80) GCLCCHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9279813-B2 Ex vivo flow cytometry method and device PURDUE RESEARCH FOUNDATION (US) 2016-03-08 US disclosed
US-20140234866-A1 EX VIVO FLOW CYTOMETRY METHOD AND DEVICE PURDUE RESEARCH FOUNDATION (US) 2014-08-21 US disclosed