SCHEMBL8779877

SCHEMBL8779877

O=C(C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)OCc1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.46
FAAH O00519 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GRIN2B Q13224 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL8779922 1.00 DAGLA (0.46) DAGLAFAAHLMNAALDH1A1HSD17B10
SCHEMBL9687291 0.88 RHEB (0.41) DAGLALMNAALDH1A1HSD17B10GRIN2B
SCHEMBL8779928 0.88 ALDH1A1 (0.41) DAGLALMNAALDH1A1HSD17B10POLB
SCHEMBL8764783 0.77 ALDH1A1 (0.52) LMNAALDH1A1HSD17B10POLBL3MBTL1
SCHEMBL8764792 0.77 ALDH1A1 (0.52) LMNAALDH1A1HSD17B10POLBL3MBTL1
SCHEMBL8779925 0.74 HDAC3 (0.48) DAGLAFAAHHDAC3HDAC4HDAC1
SCHEMBL8779881 0.74 HDAC3 (0.48) DAGLAFAAHHDAC3HDAC4HDAC1
SCHEMBL21240753 0.73 DAGLA (0.54) DAGLAFAAHLMNAALDH1A1HSD17B10
SCHEMBL10333560 0.73 ALDH1A1 (0.54) LMNAALDH1A1HSD17B10POLBL3MBTL1
SCHEMBL7363077 0.73 ALDH1A1 (0.54) LMNAALDH1A1HSD17B10POLBL3MBTL1

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
EP-0539057-B1 Benzimidazole phosphono-amino acids AMERICAN HOME PROD (US) 1997-07-16 EP disclosed
EP-0539057-A1 Benzimidazole phosphono-amino acids AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
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