SCHEMBL7218215

SCHEMBL7218215

Cc1cc(C)c(-c2c(O)c(C)c(-c3ccsc3)oc2=O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 4/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 2/20 0.40
PTPRS Q13332 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MAOB P27338 3/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
MAOA P21397 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
IDH1 O75874 1/20 0.33
CYP2A6 P11509 1/20 0.33
S1PR4 O95977 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL7219386 0.79 MAPT (0.46) MAOB
SCHEMBL14451036 0.72 PDGFRB (0.53) PDGFRBPDGFRACYP2A6ALOX5
SCHEMBL7223514 0.71 MAOA (0.41) MAOA
SCHEMBL18724350 0.69 ALDH1A1 (0.41) ADORA2AMAOBMAOA
SCHEMBL16485457 0.69 ALDH1A1 (0.37) MAOAESR1ESR2
SCHEMBL8476247 0.68 CSNK2A2 (0.46) MAOB
SCHEMBL13002777 0.68 ALDH1A1 (0.43) ADORA2AMAOBMAOA
SCHEMBL1721865 0.66 MAPT (0.38) S1PR4
SCHEMBL3176584 0.66 MAOA (0.41) MAOBMAOACYP2A6
SCHEMBL17131520 0.64 MEN1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576771-B1 Pesticides, herbicides and fungicides BAYER AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
EP-0865438-B1 OXYMETHOXY-3-ARYL-PYRONE DERIVATIVES BAYER AG (DE) 2001-10-17 EP disclosed
US-6071937-A PESTICIDES, FUNGICIDES, INSECTICIDES, HERBICIDES, MITICIDES, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-06-06 US disclosed
EP-0865438-A1 OXYMETHOXY-3-ARYL-PYRONE DERIVATIVES BAYER AG (DE) 1998-09-23 EP disclosed
WO-1997019941-A1 OXYMETHOXY-3-ARYL-PYRONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-06-05 WO disclosed