SCHEMBL7198327

SCHEMBL7198327

O=C(O)c1ccc(C(=O)O)c(C(O)CCC(O)OCCO)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.39
KDM4E B2RXH2 1/20 0.34
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 2/20 0.33
MAPK1 P28482 1/20 0.32
MYC P01106 1/20 0.32
RARB P10826 1/20 0.32
TSHR P16473 1/20 0.31
PARP1 P09874 1/20 0.30
PLA2G4B P0C869 1/20 0.30
POLB P06746 1/20 0.30
CASP6 P55212 1/20 0.30
FOLH1 Q04609 1/20 0.30

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
SCHEMBL2725195 0.83 ACE2 (0.46) ACE2KDM4EPTPN1MYCTSHR
SCHEMBL1298535 0.82 ACE2 (0.44) ACE2KDM4EPTPN1PTPN11MYC
SCHEMBL21143412 0.80 ACE2 (0.43) ACE2KDM4EPTPN1PTPN11MYC
SCHEMBL21143417 0.79 ACE2 (0.43) ACE2KDM4EPTPN1PTPN11MYC
SCHEMBL1683567 0.78 ACE2 (0.45) ACE2KDM4EPTPN1PTPN11MYC
SCHEMBL815099 0.77 ACE2 (0.51) ACE2KDM4EPTPN1MYCRARB
SCHEMBL5685962 0.76 ACE2 (0.45) ACE2KDM4EPTPN11MYCTSHR
SCHEMBL7523843 0.75 ACE2 (0.44) ACE2PTPN11MAPK1RARBTSHR
SCHEMBL4541962 0.73 ACE2 (0.40) ACE2KDM4EMAPK1RARBTSHR
SCHEMBL7524968 0.72 ACE2 (0.47) ACE2KDM4EMYCTSHRPOLB

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-6620883-B2 Thermoplastic resins BAYER AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-6509402-B1 Compositions with improved properties based on optionally rubber-modified polymers of vinyl aromatics, e.g. styrene and/ or alpha -methyl styrene and acrylonitrile and/or acrylates, which contain a special acid-reacting polyether as the BAYER AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed