SCHEMBL4619489

SCHEMBL4619489

CCC(C)(C)C1CCC2(CC1)CC(OC(=O)O)=NO2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.31
MAPT P10636 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
SCHEMBL4619727 0.87 ATM (0.36) MAPT
SCHEMBL2205238 0.82 KDM4E (0.37) KDM4EGAAMAPT
SCHEMBL4620417 0.78 KDM4E (0.38) KDM4EGAAMAPT
SCHEMBL2205084 0.77 MAPT (0.41) KDM4EGAAMAPT
SCHEMBL4620016 0.75
SCHEMBL6409412 0.71
SCHEMBL4620794 0.68 CYP19A1 (0.42) MAPT
SCHEMBL2209410 0.67 ATM (0.39) MAPT
SCHEMBL2208839 0.67 ATM (0.39) MAPT
SCHEMBL4066532 0.67 TSHR (0.33)

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-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO disclosed