SCHEMBL7604450

SCHEMBL7604450

CCC(=O)N(O)CCC(CCC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 15/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.44
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM3 Q14832 1/20 0.41

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
SCHEMBL1377571 0.84 FOLH1 (0.47) FOLH1NAALAD2GRM3
SCHEMBL7607485 0.82 FOLH1 (0.50) FOLH1NAALAD2GRM3
SCHEMBL7607491 0.79 FOLH1 (0.50) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL31379018 0.78 FOLH1 (0.53) FOLH1NAALAD2KDM4CKDM4APHF8
SCHEMBL7145291 0.77 FOLH1 (0.52) FOLH1NAALAD2CHRM1AKR1A1CHRM3
SCHEMBL1377573 0.76 FOLH1 (0.50) FOLH1KDM4CKDM4APHF8KDM2A
SCHEMBL7608616 0.75 CPA3 (0.56) FOLH1NAALAD2KDM4CKDM4APHF8
SCHEMBL108166 0.74 FOLH1 (0.76) FOLH1NAALAD2KDM4CKDM4AKDM2A
SCHEMBL1373581 0.74 FOLH1 (0.57) FOLH1NAALAD2GRM3
SCHEMBL2230782 0.73 CHRM1 (0.76) FOLH1NAALAD2CHRM1AKR1A1CHRM3

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
JP-2002514185-A 2002-05-14 JP claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed