SCHEMBL3747899

SCHEMBL3747899

O=c1c2ccc(O)cc2oc2cc(OCCCCCC(F)(F)F)ccc12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.63
MAOB P27338 3/20 0.53
ALDH2 P05091 7/20 0.50
MAOA P21397 3/20 0.48
BCHE P06276 2/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL3735330 0.94 MAOB (0.59) XDHMAOBBCHEACHE
SCHEMBL3734928 0.85 MAOB (0.55) XDHMAOBBCHEACHE
SCHEMBL8868004 0.85 XDH (0.72) XDHALDH2
SCHEMBL8868179 0.83 XDH (0.77) XDHALDH2MAOA
SCHEMBL3735320 0.81 MAOB (0.53) XDHMAOBALDH2MAOA
SCHEMBL16590030 0.77 ACSL1 (0.46) MAOBBCHEACHE
SCHEMBL7230194 0.76 ALDH2 (0.59) XDHMAOBALDH2MAOABCHE
SCHEMBL3745581 0.74 MAPT (0.64) MAOBMAOA
SCHEMBL11049325 0.74 ALDH2 (0.60) XDHMAOBALDH2MAOABCHE
SCHEMBL8961840 0.74 XDH (0.65) XDHBCHEACHE

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-7829578-B1 Aromatic ketones and uses thereof OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-11-09 US disclosed