SCHEMBL29523461

SCHEMBL29523461

CC(C)(C)OC(=O)N1CCc2c(F)c(C(F)F)cc(O)c2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.43
ADORA1 P30542 2/20 0.41
DPP4 P27487 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MKNK1 Q9BUB5 5/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TGM2 P21980 1/20 0.35

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
SCHEMBL19667710 1.00 ESR2 (0.46) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL29523288 0.87 ESR2 (0.43) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL23897065 0.87 ESR2 (0.46) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL22787601 0.87 ESR2 (0.43) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL19679214 0.85 ESR2 (0.50) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL19679216 0.84 ESR2 (0.49) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL19667592 0.84 ESR2 (0.45) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL30207854 0.84 ESR2 (0.45) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL19679219 0.83 ESR2 (0.48) ESR2NR1H2ADORA1DPP4MAPT
SCHEMBL19679218 0.83 ESR2 (0.51) ESR2NR1H2ADORA1DPP4MAPT

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
CN-114026094-B PRMT5 inhibitors 印度鲁宾有限公司 2024-06-25 CN disclosed
CN-114026094-A PRMT5 inhibitor 印度鲁宾有限公司 2022-02-08 CN disclosed