SCHEMBL8280225

SCHEMBL8280225

COc1noc(C)c1C1(C)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
CHRM3 P20309 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
HTR2C P28335 1/20 0.31
MAPT P10636 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
SCHEMBL210723 0.74 SMN1; SMN2 (0.34) SMN1; SMN2MAPK1LMNAGAAMAPT
SCHEMBL8280226 0.69 GRIA1 (0.39) SMN1; SMN2MAPK1LMNAGAAMAPT
SCHEMBL5584042 0.67 KMT2A (0.37) SMN1; SMN2LMNAGAAMAPT
SCHEMBL4373865 0.65
SCHEMBL7055952 0.62
SCHEMBL4373863 0.62
SCHEMBL16109360 0.62
SCHEMBL2759602 0.61 SMN1; SMN2 (0.36) SMN1; SMN2MAPK1LMNAGAAMAPT
SCHEMBL25431203 0.57 AKR1B1 (0.30)
SCHEMBL11310557 0.53

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed