SCHEMBL3980320

SCHEMBL3980320

CCN(c1cc(C(=O)O)c(C)cc1C(N)=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
EZH2 Q15910 17/20 0.35
JAK2 O60674 1/20 0.33

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
SCHEMBL3974267 0.90 DRD3 (0.33) IDO1
SCHEMBL3973851 0.81 OPRD1 (0.39) IDO1EZH2JAK2
SCHEMBL2427668 0.71 GABRP (0.47)
SCHEMBL13280650 0.68 EZH2 (0.60) EZH2
SCHEMBL13468281 0.68 EZH2 (0.60) EZH2
SCHEMBL16398147 0.68 EZH2 (0.60) EZH2
SCHEMBL15710202 0.68 EZH2 (0.60) EZH2
SCHEMBL15700429 0.68 EZH2 (0.60) EZH2
SCHEMBL15700378 0.68 EZH2 (0.60) EZH2
SCHEMBL13280112 0.68 EZH2 (0.53) EZH2

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-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed