SCHEMBL10855641

SCHEMBL10855641

Nc1ccc2c(c1)C(=O)N[C@H](C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ITGB1 P05556 13/20 0.40
ITGA2 P17301 13/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL17600402 0.81 MAPT (0.62) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL1252254 0.78 GAA (0.62) GAAMAPTITGB1ITGA2
SCHEMBL2080900 0.78 GAA (0.62) GAAMAPTITGB1ITGA2
SCHEMBL1252255 0.78 GAA (0.62) GAAMAPTITGB1ITGA2
SCHEMBL11035541 0.77 TDP2 (0.45) GAAMAPTITGB1ITGA2
SCHEMBL10854713 0.77 TDP2 (0.45) GAAMAPTITGB1ITGA2
SCHEMBL10854682 0.76 GAA (0.44) GAAMAPTITGB1ITGA2
SCHEMBL27579143 0.76 GAA (0.60) GAAMAPTALDH1A1HPGD
SCHEMBL7444115 0.72 EGLN1 (0.44) GAAMAPT
SCHEMBL31369696 0.72 EGLN1 (0.44) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563306-A CONSCIOUSNESS DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1986-01-07 US disclosed
EP-0134582-A2 Novel peptides and process for preparing the same and pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1985-03-20 EP disclosed