SCHEMBL7839779

SCHEMBL7839779

CCCC(S)CC(CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.52
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRIK1 P39086 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRM3 Q14832 2/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43

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
SCHEMBL5057961 0.89 SLC1A2 (0.50) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5058005 0.87 FOLH1 (0.53) FOLH1GRM3NAALAD2
SCHEMBL2230782 0.80 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL19819308 0.79 FOLH1 (0.50) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5052865 0.79 FOLH1 (0.58) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5059822 0.79 FOLH1 (0.57) FOLH1GRM3NAALAD2
SCHEMBL28305853 0.78 FOLH1 (0.58) FOLH1SLC1A3SLC1A2SLC1A1GRM3
Hydrochloric Acid SCHEMBL27682490 0.78 CHRM1 (0.73) FOLH1CHRM1AKR1A1CHRM3HTR2A
Bromide SCHEMBL7659007 0.78 CHRM1 (0.73) FOLH1CHRM1AKR1A1CHRM3HTR2A
Water SCHEMBL27701491 0.78 CHRM1 (0.73) FOLH1CHRM1AKR1A1CHRM3HTR2A

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-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US claimed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US disclosed