SCHEMBL28030971

SCHEMBL28030971

O=c1ccoc2cc(OCCCCN3CCCC3)ccc12

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.82
ACHE P22303 6/20 0.82
MAOB P27338 3/20 0.82
BCHE P06276 2/20 0.80

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
SCHEMBL28031516 0.99 SIGMAR1 (0.83) SIGMAR1ACHEMAOBBCHE
SCHEMBL7899445 0.95 SIGMAR1 (0.82) SIGMAR1ACHEMAOBBCHE
SCHEMBL28031514 0.91 SIGMAR1 (0.83) SIGMAR1ACHEMAOBBCHE
SCHEMBL28030948 0.90 SIGMAR1 (1.00) SIGMAR1ACHEMAOBBCHE
SCHEMBL28030976 0.89 SIGMAR1 (1.00) SIGMAR1ACHEMAOBBCHE
SCHEMBL9521742 0.88 SIGMAR1 (1.00) SIGMAR1ACHEMAOBBCHE
SCHEMBL10518875 0.86 DRD2 (0.63) SIGMAR1ACHEMAOBBCHE
SCHEMBL10517295 0.82 DRD2 (0.67) SIGMAR1ACHEBCHE
SCHEMBL10519865 0.82 KDM4E (0.60) SIGMAR1ACHEMAOBBCHE
SCHEMBL10518674 0.81 SIGMAR1 (0.61) SIGMAR1ACHEMAOBBCHE

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
CN-102993147-B 4-chromone and 4-chromanone compound and purposes SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-09-09 CN disclosed