SCHEMBL9687291

SCHEMBL9687291

O=C(C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.41
EGLN1 Q9GZT9 2/20 0.39
PRKAG1 P54619 5/20 0.39
PRKAA2 P54646 5/20 0.39
PRKAB1 Q9Y478 5/20 0.39
PRCP P42785 4/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL8779928 0.89 ALDH1A1 (0.41) RHEBLMNAALDH1A1POLBHSD17B10
SCHEMBL8779922 0.88 DAGLA (0.46) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL8779877 0.88 DAGLA (0.46) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL8764792 0.74 ALDH1A1 (0.52) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL8764783 0.74 ALDH1A1 (0.52) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL10333560 0.70 ALDH1A1 (0.54) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7363077 0.70 ALDH1A1 (0.54) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7275088 0.69 ALDH1A1 (0.52) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL6849355 0.67 FOLH1 (0.50) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL8765302 0.67 FOLH1 (0.50) LMNAALDH1A1POLBHSD17B10L3MBTL1

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-5124319-A Administering for treatment of neuropathological disorders induced by overstimulation of excitatory amino acid receptors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed