SCHEMBL5485783

SCHEMBL5485783

OC(O)COc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.55
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
SOD1 P00441 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL19384428 0.85 LMNA (0.61) MAOBALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL19384259 0.85 LMNA (0.61) MAOBALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL19384288 0.85 LMNA (0.61) MAOBALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL3229817 0.84 TSHR (0.66) MAOBALDH1A1KMT2AHTTKDM4E
SCHEMBL3229807 0.84 TSHR (0.66) MAOBALDH1A1KMT2AHTTKDM4E
SCHEMBL772753 0.82 KMT2A (0.51) MAOBALDH1A1KMT2AHTTKDM4E
SCHEMBL14027336 0.82 ALDH1A1 (0.54) MAOBALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL8179344 0.82 KMT2A (0.51) MAOBALDH1A1KMT2AHTTKDM4E
SCHEMBL23363494 0.81 MAOB (0.47) MAOBALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL29934083 0.81 MAOB (0.47) MAOBALDH1A1KMT2AHSD17B10KDM4E

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