SCHEMBL9987353

SCHEMBL9987353

CCOP(=O)(OCC)C(O)Cc1cs[c]n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HMGCR P04035 2/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PTK2 Q05397 1/20 0.31

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
SCHEMBL972014 0.74 PKM (0.30)
SCHEMBL970255 0.73 TSHR (0.38) HTTPTK2
SCHEMBL971166 0.72 KDM4E (0.30) KDM4E
SCHEMBL14958000 0.72 KDM4E (0.30) KDM4E
SCHEMBL972652 0.71
SCHEMBL2703616 0.71 PPARD (0.39)
SCHEMBL577365 0.68
SCHEMBL972952 0.68 MAPT (0.38) POLBGAA
SCHEMBL9053712 0.67 POLB (0.60) POLBGAAALDH1A1KDM4ELMNA
SCHEMBL970351 0.66 TSHR (0.33) POLB

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-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed