SCHEMBL14734657

SCHEMBL14734657

CCC1CC2C=CC1N(C(=O)O)C2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 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
SCHEMBL14720925 0.85
SCHEMBL14720355 0.84 ALOX5 (0.36) KDM4E
SCHEMBL14720709 0.83 TSHR (0.40)
SCHEMBL8319536 0.75
SCHEMBL19627144 0.73 KDM4E (0.33) KDM4E
SCHEMBL8814744 0.70
SCHEMBL17359421 0.70 TSHR (0.40)
SCHEMBL21195521 0.69
SCHEMBL20817336 0.69
SCHEMBL3334129 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028999-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-02-28 WO disclosed