SCHEMBL8600124

SCHEMBL8600124

O=C(O)C(CCNCCS(=O)(=O)C=Cc1ccccc1)Oc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
GAA P10253 2/20 0.36
PSMB5 P28074 1/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL8601737 0.85 GAA (0.48) MAPTSLC6A2SLC6A4GAAPSMB5
SCHEMBL8603469 0.83 GAA (0.52) MAPTSLC6A2SLC6A4GAAPSMB5
SCHEMBL8603475 0.78 SLC6A2 (0.42) MAPTSLC6A2SLC6A4GAAPPARG
SCHEMBL8604557 0.77 SLC6A4 (0.45) SLC6A2SLC6A4GAAPPARGPPARA
SCHEMBL8602049 0.74 KDM4E (0.40) MAPTGAAKMT2APPARGPPARA
SCHEMBL8604548 0.74 MMP8 (0.43) SLC6A2SLC6A4PSMB5KMT2APPARG
SCHEMBL8603616 0.73 SLC6A4 (0.47) SLC6A2SLC6A4PSMB5KMT2APPARG
SCHEMBL8603715 0.72 SLC6A4 (0.39) HTR1DHTR1BSLC6A2SLC6A4PSMB5
SCHEMBL27478671 0.71 PPARG (0.51) HTR1BSLC6A2SLC6A4PSMB5KMT2A
SCHEMBL10389987 0.71 KDM4E (0.47) SLC6A2SLC6A4PSMB5KMT2APPARG

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
US-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed