SCHEMBL598752

SCHEMBL598752

Cn1nnnc1[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.47
TMEM97 Q5BJF2 13/20 0.47

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
SCHEMBL586992 1.00 SIGMAR1 (0.47) SIGMAR1TMEM97
SCHEMBL582233 0.85 SIGMAR1 (0.47) SIGMAR1TMEM97
SCHEMBL586828 0.84 PLG (0.47)
SCHEMBL586903 0.80 SMN1; SMN2 (0.51) SIGMAR1TMEM97
SCHEMBL2991986 0.77 TMEM97 (0.51) SIGMAR1TMEM97
SCHEMBL2991989 0.77 TMEM97 (0.51) SIGMAR1TMEM97
SCHEMBL586922 0.77 ALDH1A1 (0.49) SIGMAR1TMEM97
SCHEMBL587119 0.74 SIGMAR1 (0.45) SIGMAR1TMEM97
SCHEMBL15017310 0.73 SMN1; SMN2 (0.57)
SCHEMBL581230 0.73 PLG (0.46) SIGMAR1TMEM97

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
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed