SCHEMBL8186771

SCHEMBL8186771

CCCc1ccc2oc(=O)n(CC)c2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.50
IDO1 P14902 3/20 0.50
PDE10A Q9Y233 2/20 0.49
KMT2A Q03164 2/20 0.48
CD74 P04233 3/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ASAH1 Q13510 1/20 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
SCHEMBL8180452 0.87 MIF (0.63) MIFIDO1PDE10AKMT2ACD74
SCHEMBL13164129 0.84 MIF (0.50) MIFIDO1PDE10AKMT2ACD74
SCHEMBL10160042 0.82 MIF (0.48) MIFIDO1PDE10AKMT2ACD74
SCHEMBL10210706 0.81 IDO1 (0.50) MIFIDO1PDE10AKMT2ACD74
SCHEMBL12124425 0.80 TMEM97 (0.66)
SCHEMBL14465204 0.79 ASAH1 (0.41) MIFIDO1PDE10AKMT2ACD74
SCHEMBL13367744 0.79 MIF (0.66) MIFKMT2ACD74MEN1POLB
SCHEMBL6425871 0.78 IDO1 (0.69) IDO1ALDH1A1
SCHEMBL30336433 0.78 SIGMAR1 (0.53) MIFIDO1PDE10AKMT2ACD74
SCHEMBL616373 0.78 SIGMAR1 (0.53) MIFIDO1PDE10AKMT2ACD74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063670-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed