SCHEMBL8485377

SCHEMBL8485377

CC(C)(C)OC(=O)CC1CCC(N)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
LIPA P38571 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
KDM1A O60341 1/20 0.31
MIF P14174 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL8485380 1.00 NR1H2 (0.36) NR1H2LIPACTSSCTSKSMYD3
Methyl Alcohol SCHEMBL27474414 0.98 NR1H2 (0.35) NR1H2LIPACTSSCTSKSMYD3
SCHEMBL1932287 0.90 NR1H2 (0.41) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL13668662 0.85 PLG (0.42) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL28958600 0.85 PLG (0.42) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL8712766 0.84 KMT2A (0.35) NR1H2CTSSCTSKSMYD3KMT2A
SCHEMBL8712765 0.84 KMT2A (0.35) NR1H2CTSSCTSKSMYD3KMT2A
SCHEMBL23223892 0.83 NR1H2 (0.40) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL1001602 0.83 NR1H2 (0.37) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL21285455 0.83 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3MIF

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed