SCHEMBL9746186

SCHEMBL9746186

CC(C)(C)OC(=O)N(CCN)C(=O)c1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EPHX2 P34913 1/20 0.36
GRM2 Q14416 1/20 0.35
ESRRG P62508 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ROCK1 Q13464 1/20 0.33
KIF11 P52732 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33

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
SCHEMBL9744817 0.83 HDAC3 (0.38) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL6529111 0.80 GPR119 (0.46) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL2937645 0.79 GPR119 (0.47) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL28319882 0.75 HDAC6 (0.37) HDAC1HDAC2L3MBTL1
SCHEMBL7957605 0.71 KCNA5 (0.33) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL1019092 0.71 CA1 (0.50) GPR119PPARGPPARAEPHX2ADRB2
SCHEMBL7640149 0.70 LMNA (0.38) HDAC3HDAC1HDAC2NCOR2EPHX2
SCHEMBL9003727 0.70 PPARG (0.39) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL9983224 0.70 CA14 (0.32) HDAC1HDAC2GRM2
SCHEMBL1309204 0.70 CA14 (0.41) HDAC1HDAC2

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-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US disclosed