SCHEMBL9434833

SCHEMBL9434833

CC1NC(=O)OC1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.54
CREBBP Q92793 2/20 0.47
MAOB P27338 6/20 0.47
GRM5 P41594 2/20 0.46
KCNH2 Q12809 1/20 0.46
FABP5 Q01469 1/20 0.44
MAOA P21397 1/20 0.44
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
PPARG P37231 1/20 0.44
RIN1 Q13671 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
NR4A2 P43354 1/20 0.44
DPYD Q12882 1/20 0.44
BRD4 O60885 1/20 0.43
ACHE P22303 1/20 0.43
GRIN1 Q05586 3/20 0.43

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
SCHEMBL4864732 0.86 TNKS2 (0.51) TNKS2CREBBPMAOBACHE
SCHEMBL4864718 0.86 TNKS2 (0.51) TNKS2CREBBPMAOBACHE
SCHEMBL4864711 0.86 TNKS2 (0.51) TNKS2CREBBPMAOBACHE
SCHEMBL10242153 0.80 GRM5 (0.58) GRM5
SCHEMBL8532996 0.76 GRM5 (0.49) GRM5
SCHEMBL338191 0.76 GRM5 (0.49) GRM5
SCHEMBL5835621 0.76 GRM5 (0.49) GRM5
SCHEMBL5544656 0.76 GRM5 (0.49) GRM5
SCHEMBL6374631 0.76 GRM5 (0.49) GRM5
SCHEMBL4291 0.76 GRM5 (0.49) GRM5

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
WO-1994000432-A1 ANORECTIC EPINEPHRINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-01-06 WO disclosed