SCHEMBL8006059

SCHEMBL8006059

CC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1C#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
EPHX1 P07099 3/20 0.36
DPP4 P27487 6/20 0.35
CTSK P43235 4/20 0.35
CTSS P25774 1/20 0.35
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP7 Q9UHL4 2/20 0.33
GAA P10253 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL8006057 1.00 GRM4 (0.39) GRM4EPHX1DPP4CTSKCTSS
SCHEMBL8006061 1.00 GRM4 (0.39) GRM4EPHX1DPP4CTSKCTSS
SCHEMBL8016075 0.97 DPP4 (0.38) GRM4EPHX1DPP4CTSKCTSS
SCHEMBL8016078 0.97 DPP4 (0.38) GRM4EPHX1DPP4CTSKCTSS
SCHEMBL8016077 0.97 DPP4 (0.38) GRM4EPHX1DPP4CTSKCTSS
SCHEMBL1296115 0.81 EPHX1 (0.41) EPHX1HRH3GAA
SCHEMBL12994226 0.80 CTSK (0.34) DPP4CTSKCTSSHRH3MEN1
SCHEMBL26460992 0.80 EPHX1 (0.52) EPHX1CTSKHRH3GAA
SCHEMBL18457869 0.79 GRM4 (0.44) GRM4EPHX1DPP4CTSKCTSS
SCHEMBL5328545 0.76 EPHX1 (0.47) EPHX1CTSKHRH3MEN1KMT2A

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-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed