SCHEMBL15214248

SCHEMBL15214248

CCOC(Cn1cc(C)nn1)OCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GPR88 Q9GZN0 1/20 0.30

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
SCHEMBL4962353 0.76 POLB (0.39) KMT2A
SCHEMBL12862582 0.75 DPP4 (0.42) DPP4GPR88
SCHEMBL19956575 0.74 TSHR (0.39) DPP4ALDH1A1LMNAGPR88
SCHEMBL18377887 0.73 DPP4 (0.44) DPP4GPR88
SCHEMBL764212 0.72
SCHEMBL18900639 0.72 DPP4 (0.37) KDM4EDPP4GPR88
SCHEMBL17354810 0.72 DPP4 (0.37) KDM4EDPP4GPR88
SCHEMBL16377851 0.72 DPP4 (0.34) DPP4ALDH1A1LMNA
SCHEMBL25963597 0.71 DPP4 (0.38) DPP4GPR88
SCHEMBL27303600 0.70 DPP4 (0.36) DPP4

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
US-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 US disclosed
US-8518927-B2 Chemically programmed vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-27 US disclosed