SCHEMBL8423848

SCHEMBL8423848

O=C(O)CCC(CCP(=O)(O)OOCC1C=CC=CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.44
GRM3 Q14832 2/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36

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
SCHEMBL7051251 0.90 FOLH1 (0.43) FOLH1GRM3NAALAD2
SCHEMBL7052340 0.79 FOLH1 (0.41) FOLH1GRM3NAALAD2
SCHEMBL7052258 0.78 FOLH1 (0.40) FOLH1GRM3NAALAD2
SCHEMBL7053258 0.71 FOLH1 (0.44) FOLH1GRM3NAALAD2
SCHEMBL7607842 0.70 FOLH1 (0.62) FOLH1GRM3NAALAD2
SCHEMBL8060048 0.64 FOLH1 (1.00) FOLH1GRM3NAALAD2
SCHEMBL28863951 0.63 FOLH1 (0.36) FOLH1
SCHEMBL8063534 0.62 FOLH1 (0.58) FOLH1GRM3NAALAD2
SCHEMBL19773237 0.62 GRM8 (0.32) FOLH1
SCHEMBL14036443 0.62 SIGMAR1 (0.36)

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
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed