SCHEMBL9729224

SCHEMBL9729224

CC(C)(C)OC(=O)C1CCCCCC1(N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.33
ARG2 P78540 2/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 2/20 0.33
GRM2 Q14416 5/20 0.33
GRM3 Q14832 5/20 0.33
GRM6 O15303 4/20 0.33
GRM8 O00222 2/20 0.33
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL2524446 0.98 ARG1 (0.34) ARG1ARG2GAAEPHX1GRM2
SCHEMBL30746735 0.94 ARG1 (0.38) ARG1ARG2GRM2GRM3GRM6
SCHEMBL76967 0.94 ARG1 (0.38) ARG1ARG2GRM2GRM3GRM6
SCHEMBL2730057 0.87 GRM2 (0.40) GRM2GRM3GRM6GRM8MAPK1
SCHEMBL2063878 0.84 GAA (0.35) GAAEPHX1MAPK1HPGDTSHR
SCHEMBL29707789 0.82 MAPK1 (0.34) GAAEPHX1MAPK1HPGDBTK
SCHEMBL31337843 0.81 MAPK1 (0.33) GAAEPHX1MAPK1
SCHEMBL190124 0.78 GRM2 (0.43) GRM2GRM3GRM6GRM8MAPK1
SCHEMBL3645961 0.78 MAPK1 (0.36) GAAEPHX1MAPK1HPGDBTK
SCHEMBL30086083 0.78 GRM2 (0.43) GRM2GRM3GRM6GRM8MAPK1

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-5175146-A Improved potency; storage stability; nonhydrolyzing; osteoporosis; Paget's disease; hypocalcemic VICAL, INC. (US) 1992-12-29 US disclosed