SCHEMBL5485782

SCHEMBL5485782

CCOC(C)OCC.O=CCOc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOB P27338 9/20 0.42
ALDH1A1 P00352 4/20 0.41
MAOA P21397 1/20 0.41
LMNA P02545 1/20 0.40
SOD1 P00441 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8199273 0.85 MAOB (0.55) KDM4EMAOBALDH1A1MAOALMNA
SCHEMBL5986464 0.82 LTA4H (0.42) MAOALMNA
SCHEMBL9317278 0.81 KDM4E (0.49) KDM4EHSD17B10MAOBALDH1A1LMNA
Propionaldehyde SCHEMBL27848593 0.77 MAOB (0.50) KDM4EMAOBALDH1A1MAOALMNA
SCHEMBL4195169 0.77 KDM4E (0.44) KDM4EHSD17B10MAOBALDH1A1LMNA
SCHEMBL6712899 0.77 ALDH1A1 (0.62) MAOBALDH1A1MAOALMNAMAPT
SCHEMBL5645717 0.76 FFAR1 (0.43) KDM4EALDH1A1LMNAKMT2A
SCHEMBL12261469 0.75 MAOB (0.47) KDM4EHSD17B10MAOBALDH1A1LMNA
SCHEMBL5648390 0.75 PPARG (0.44) KDM4EMAOBALDH1A1MAOALMNA
Ethylene SCHEMBL3645192 0.74 ALDH1A1 (0.59) MAOBALDH1A1MAOALMNAMAPT

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-2007142929-A2 NOVEL PDE4 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-12-13 WO disclosed