SCHEMBL7223445

SCHEMBL7223445

Cc1cc(C)c(-c2c(OCOCC(C)C)c(C)c(-c3ccc(Cl)cc3)oc2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.37
MAOB P27338 3/20 0.34
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 2/20 0.32
ALOX5AP P20292 2/20 0.32
CETP P11597 1/20 0.31
MAOA P21397 1/20 0.31
TP53 P04637 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
SCHEMBL7219386 0.73 MAPT (0.46) ADORA3MAOBCSNK2A2CSNK2BCSNK2A1
SCHEMBL8475129 0.71 ADORA3 (0.39) ADORA3CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL7223504 0.69 PDGFRB (0.32) CSNK2A2CSNK2BCSNK2A1
SCHEMBL8476247 0.68 CSNK2A2 (0.46) ADORA3MAOBCSNK2A2CSNK2BCSNK2A1
SCHEMBL12767969 0.61 ALDH1A1 (0.47) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL17131519 0.57 IGLV6-57 (0.36) MAOBALDH1A1TDP1CETPMAOA
SCHEMBL9124353 0.56 ALDH1A1 (0.44) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL325648 0.55 SCN4A (0.60) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL20804852 0.55 KDM1A (0.51) ADORA3MAPTALDH1A1SCN4A
SCHEMBL2312172 0.55 SCN4A (0.52) MAOBMAPTKDM4EALDH1A1LMNA

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 4 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