SCHEMBL8615008

SCHEMBL8615008

Cc1nc(-c2ccoc2)oc1C=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ERN1 O75460 6/20 0.36
PPARA Q07869 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL15265475 0.78 GAA (0.50) POLBALDH1A1GAA
SCHEMBL5638728 0.75 ESR2 (0.49) LMNAALDH1A1GAAHTT
SCHEMBL8615006 0.74 GAA (0.47) POLBADORA1LMNAADORA3ADORA2A
SCHEMBL5637692 0.73 IKBKB (0.50) LMNAALDH1A1
SCHEMBL3737979 0.72 IKBKB (0.49) PPARALMNA
SCHEMBL22678521 0.70 DRD1 (0.50) POLBLMNAALDH1A1GAAHTT
SCHEMBL5638197 0.69 LMNA (0.45) POLBLMNAADORA3ADORA2AALDH1A1
SCHEMBL30638248 0.68 ELANE (0.30)
SCHEMBL2515825 0.64
SCHEMBL12681531 0.61

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-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed