SCHEMBL8057699

SCHEMBL8057699

COc1ccc(CC(C(CCC(=O)O)C(=O)O)[PH](=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
FFAR1 O14842 2/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4B Q07343 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7644621 0.85 FFAR1 (0.42) FFAR1PPARGPPARAKMT2A
SCHEMBL7642964 0.84 CPA3 (0.55) FFAR1
SCHEMBL7650843 0.83 FOLH1 (0.44) FFAR1PPARGPPARAKMT2AHTT
SCHEMBL5059934 0.81 FFAR1 (0.46) LDHAFFAR1KMT2AL3MBTL1PDE4B
SCHEMBL31650242 0.75 LDHA (0.60) LDHAFFAR1PPARGPPARAPDE4B
SCHEMBL7653675 0.74 CPA3 (0.47) SMN1; SMN2
SCHEMBL5054341 0.73 MTNR1B (0.44) KMT2ANPC1RAB9A
SCHEMBL27542987 0.72 LDHA (0.57) LDHAFFAR1PPARGPPARAL3MBTL1
SCHEMBL21986448 0.72 CPA3 (0.41) FFAR1
SCHEMBL7036604 0.71 KEAP1 (0.47) FFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025344-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 US claimed