SCHEMBL7648592

SCHEMBL7648592

O=C(O)CCC(C(=O)O)C(Cc1ccccc1F)[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FOLH1 Q04609 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CPA3 P15088 1/20 0.39
KDM4E B2RXH2 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
CXCL8 P10145 2/20 0.34
CYP2D6 P10635 2/20 0.33
KEAP1 Q14145 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8048450 0.85 AKR1B1 (0.42) ALDH1A1CPA3KDM4ENAALAD2CYP2D6
SCHEMBL7642964 0.82 CPA3 (0.55) CPA3NAALAD2KEAP1CYP1A2
SCHEMBL5051226 0.79 CXCL8 (0.37) ALDH1A1MEN1KMT2AFOLH1CPA3
SCHEMBL7650843 0.78 FOLH1 (0.44) KMT2AFOLH1PPARGPPARACPA3
SCHEMBL7036604 0.78 KEAP1 (0.47) CPA3NAALAD2KEAP1CYP2C19MAPK1
SCHEMBL7855611 0.76 FOLH1 (0.40) FOLH1CPA3CYP1A2
SCHEMBL20508880 0.75 PTPRA (0.50) ALDH1A1CPA3CYP2D6CYP1A2TSHR
SCHEMBL5053327 0.73 CPA3 (0.38) ALDH1A1MEN1KMT2ACPA3KDM4E
SCHEMBL5052977 0.73 GAA (0.41) ALDH1A1MEN1KMT2AFOLH1CPA3
SCHEMBL7644621 0.73 FFAR1 (0.42) ALDH1A1KMT2APPARGPPARACPA3

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-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