SCHEMBL7604513

SCHEMBL7604513

CC(C(CCC(=O)O)C(=O)O)P(=O)(O)C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGH Q92820 1/20 0.42
FOLH1 Q04609 1/20 0.41
POLB P06746 1/20 0.40
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38

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
SCHEMBL5052846 0.87 GGH (0.43) GGHFOLH1CYP2D6ALDH1A1CYP1A2
SCHEMBL5059764 0.84 POLB (0.41) GGHFOLH1POLBCYP2D6ALDH1A1
SCHEMBL8065615 0.83 FOLH1 (0.41) GGHFOLH1NAALAD2
SCHEMBL5051128 0.82 GGH (0.39) GGHFOLH1CYP2D6ALDH1A1CYP1A2
SCHEMBL5054517 0.81 GGH (0.40) GGHFOLH1POLBCYP2D6ALDH1A1
SCHEMBL5054518 0.81 GGH (0.40) GGHFOLH1POLBCYP2D6ALDH1A1
SCHEMBL7607505 0.78 GGH (0.51) GGHFOLH1CYP2D6ALDH1A1CYP1A2
SCHEMBL5057917 0.76 FOLH1 (0.48) GGHFOLH1CYP2D6ALDH1A1CYP1A2
SCHEMBL5052928 0.76 GGH (0.40) GGHFOLH1CYP2D6ALDH1A1CYP1A2
SCHEMBL8457126 0.75 GGH (0.44) GGHFOLH1CYP2D6ALDH1A1CYP1A2

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 5 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
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