SCHEMBL4556291

SCHEMBL4556291

OCCC[CH]Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
TOP1 P11387 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ARG2 P78540 1/20 0.41
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
CALM1 P0DP23 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
IDO1 P14902 2/20 0.33
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HDAC3 O15379 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC4 P56524 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
SCHEMBL10454429 0.88 HTT (0.41) MAOBTSHRIDO1SMN1; SMN2HDAC2
SCHEMBL4420292 0.86 MAOB (0.50) MAOBTDP1TSHRTOP1CA1
SCHEMBL1289581 0.80 MAOB (0.48) MAOBIDO1HDAC3MAPK1ADRA1A
SCHEMBL482781 0.78 MAOB (0.46) MAOBTOP1EPHX2MAPK1SMN1; SMN2
SCHEMBL2261671 0.78 MAOB (0.46) MAOBTSHRTOP1CA1CA2
SCHEMBL7367782 0.78 MAOA (0.50) MAOBTOP1SMN1; SMN2POLB
SCHEMBL10648199 0.77 CYP1A2 (0.44) HDAC1HDAC8
SCHEMBL2761679 0.77 KCNH2 (0.46) MAOBEPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL6682937 0.77 SIGMAR1 (0.50) MAOB
SCHEMBL18315425 0.77 MAOB (0.44) MAOBTDP1TSHRTOP1CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012789-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION(AMD) Prana Biotechnology Limited (AU) 2009-01-14 EP disclosed
WO-2007118276-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION(AMD) PRANA BIOTECHNOLOGY LTD (AU) 2007-10-25 WO disclosed