SCHEMBL19909607

SCHEMBL19909607

O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.71
HSD11B1 P28845 3/20 0.55
TSHR P16473 1/20 0.51
DPP4 P27487 4/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19909613 0.81 BPTF (0.47) BPTFHSD11B1TSHRDPP4KMT2A
SCHEMBL19909619 0.80 BPTF (0.46) BPTFHSD11B1TSHRDPP4KMT2A
SCHEMBL15600035 0.77 DPP4 (0.45) BPTFHSD11B1DPP4ALDH1A1GAA
SCHEMBL19909647 0.77 DPP4 (0.45) BPTFHSD11B1DPP4ALDH1A1GAA
SCHEMBL1788313 0.76 POLB (0.66) HSD11B1TSHRKMT2AALDH1A1LMNA
SCHEMBL19909608 0.76 DPP4 (0.64) BPTFHSD11B1DPP4GAADPP8
SCHEMBL19909609 0.76 DPP4 (0.64) BPTFHSD11B1DPP4GAADPP8
SCHEMBL17818866 0.75 POLB (0.50) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL30730737 0.75 DPP4 (0.73) HSD11B1DPP4DPP8DPP9
SCHEMBL1038132 0.75 DPP4 (0.73) HSD11B1DPP4DPP8DPP9

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-3122724-B1 A PROCESS FOR PRODUCING SAXAGLIPTIN ZENTIVA KS (CZ) 2018-02-28 EP disclosed