SCHEMBL14944456

SCHEMBL14944456

CC(C)C(=O)C1=CSCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DBH P09172 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 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
SCHEMBL15468834 0.69
SCHEMBL4883443 0.64 HDAC2 (0.50) FFAR1KDM4EDBHGAARECQL
SCHEMBL14010784 0.64 FFAR1 (0.33) FFAR1KDM4EDBHGAARECQL
SCHEMBL4212578 0.62 HDAC2 (0.52) FFAR1
SCHEMBL23424058 0.61 FFAR1 (0.31) FFAR1
SCHEMBL19743539 0.61 FFAR1 (0.31) FFAR1
SCHEMBL19743538 0.61 FFAR1 (0.31) FFAR1
SCHEMBL19743540 0.61 FFAR1 (0.31) FFAR1
SCHEMBL21733621 0.61 FFAR1 (0.34) FFAR1KDM4EDBHGAARECQL
SCHEMBL13160781 0.61 FFAR1 (0.34) FFAR1KDM4EDBHGAARECQL

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
EP-1827444-B1 MNK1 OR MNK2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed