SCHEMBL28495607

SCHEMBL28495607

CC(C)(C)OC(=O)N1C[C@H](O[C@@H]2CCCCO2)C[C@@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
ATM Q13315 2/20 0.35
SRC P12931 8/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4B Q07343 1/20 0.32
OPRK1 P41145 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
SCHEMBL19942887 1.00 NR1H2 (0.38) NR1H2ATMSRCMEN1ALDH1A1
SCHEMBL13577617 1.00 NR1H2 (0.38) NR1H2ATMSRCMEN1ALDH1A1
SCHEMBL30181011 1.00 NR1H2 (0.38) NR1H2ATMSRCMEN1ALDH1A1
SCHEMBL15273386 1.00 NR1H2 (0.38) NR1H2ATMSRCMEN1ALDH1A1
SCHEMBL376323 1.00 NR1H2 (0.38) NR1H2ATMSRCMEN1ALDH1A1
SCHEMBL29007753 0.93 NR1H2 (0.41) NR1H2ATMSRCCHRM2CHRM1
SCHEMBL10323879 0.90 ATM (0.38) NR1H2ATMMEN1ALDH1A1KMT2A
SCHEMBL19942977 0.90 ATM (0.34) NR1H2ATMMEN1ALDH1A1MAPT
SCHEMBL376609 0.90 ATM (0.34) NR1H2ATMMEN1ALDH1A1MAPT
SCHEMBL13577619 0.90 ATM (0.34) NR1H2ATMMEN1ALDH1A1MAPT

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
CN-107793395-B Fibroblast growth factor receptor inhibitors and uses thereof 南京药捷安康生物科技有限公司 2021-01-05 CN disclosed