SCHEMBL19401307

SCHEMBL19401307

CO[C@H]1CCC[C@@H](C#CC(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 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
SCHEMBL25785526 0.73
SCHEMBL5172925 0.73 KCNH2 (0.32)
SCHEMBL910642 0.72 DPP4 (0.36) DPP4DPP7
SCHEMBL14270060 0.70 DPP4 (0.40) DPP4DPP7
SCHEMBL5482843 0.70 DPP4 (0.40) DPP4DPP7
SCHEMBL7400653 0.69 DPP4 (0.31) DPP4DPP7
SCHEMBL21285266 0.66 DPP4 (0.47) DPP4DPP7
SCHEMBL21963510 0.66 DPP4 (0.47) DPP4DPP7
SCHEMBL21961178 0.66 DPP4 (0.47) DPP4DPP7
SCHEMBL21238550 0.66 DPP4 (0.47) DPP4DPP7

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-2017165607-A1 CONJUGATES OF TACROLIMUS, THEIR COMPOSITIONS, AND THEIR USES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-09-28 WO disclosed