SCHEMBL21603772

SCHEMBL21603772

CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC(C(=O)OC(C)(C)C)C2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
KDM4E B2RXH2 7/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 8/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL5451004 0.83 MAPT (0.77) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL3806687 0.81 MAPT (0.77) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL21597279 0.80 MAPT (0.51) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL3923517 0.80 KDM4E (0.66) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL21597795 0.79 ALDH1A1 (0.49) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL21597739 0.78 MAPT (0.47) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL27418736 0.78 MAPT (0.51) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL27418713 0.78 ADORA1 (0.56) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL21603737 0.78 KMT2A (0.52) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL5450835 0.76 POLB (0.62) MAPTKDM4EHSD17B10ALDH1A1LMNA

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-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed