SCHEMBL7609969

SCHEMBL7609969

CCCCP(=O)(O)C(C)C(CCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.40
CYP1A2 P05177 1/20 0.39
GGH Q92820 1/20 0.38
GRM3 Q14832 2/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
AKR1B1 P15121 1/20 0.37
MAPT P10636 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL8048482 0.90 FOLH1 (0.42) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL7608707 0.87 FOLH1 (0.44) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL5057890 0.83 FOLH1 (0.39) FOLH1GGHGRM3NAALAD2AKR1B1
SCHEMBL5053277 0.79 GGH (0.37) FOLH1GGHGRM3NAALAD2FFAR4
SCHEMBL5053281 0.79 GGH (0.37) FOLH1GGHGRM3NAALAD2FFAR4
SCHEMBL8060052 0.78 FOLH1 (0.53) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL8469639 0.78 CYP1A2 (0.50) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL5053274 0.76 GGH (0.49) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL338997 0.76 TRPM8 (0.39)
SCHEMBL5052848 0.76 CYP2D6 (0.48) FOLH1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed