SCHEMBL8779928

SCHEMBL8779928

Cc1cc2nc(C(=O)C[C@H](C(=O)O)N(Cc3ccccc3)C(=O)OCc3ccccc3)[nH]c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CACNA1G O43497 1/20 0.35
AAK1 Q2M2I8 5/20 0.34
DAGLA Q9Y4D2 1/20 0.34
TSHR P16473 2/20 0.33
RHEB Q15382 1/20 0.33
F9 P00740 1/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 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
SCHEMBL9687291 0.89 RHEB (0.41) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL8779922 0.88 DAGLA (0.46) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL8779877 0.88 DAGLA (0.46) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL8764783 0.74 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL8764792 0.74 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL7363077 0.70 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL10333560 0.70 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL7275088 0.69 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL8765302 0.67 FOLH1 (0.50) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL6849355 0.67 FOLH1 (0.50) ALDH1A1LMNAHSD17B10POLBL3MBTL1

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