SCHEMBL8601737

SCHEMBL8601737

O=C(O)C(CCNS(=O)(=O)C=Cc1ccccc1)Oc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PSMB5 P28074 1/20 0.38
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8603469 0.94 GAA (0.52) GAAHTTMAPTSLC6A2SLC6A4
SCHEMBL8603475 0.93 SLC6A2 (0.42) GAAHTTMAPTSLC6A2SLC6A4
SCHEMBL8604557 0.91 SLC6A4 (0.45) GAAHTTSLC6A2SLC6A4ALDH1A1
SCHEMBL8600124 0.85 MAPT (0.39) GAAHTTMAPTSLC6A2SLC6A4
SCHEMBL8603715 0.83 SLC6A4 (0.39) SLC6A2SLC6A4ALDH1A1PSMB5PPARG
SCHEMBL8602990 0.81 GAA (0.44) GAAHTTMAPTALDH1A1PPARG
SCHEMBL8603616 0.80 SLC6A4 (0.47) SLC6A2SLC6A4ALDH1A1PSMB5PPARG
SCHEMBL8603483 0.79 GAA (0.43) GAAHTTMAPTALDH1A1PPARG
SCHEMBL8604548 0.78 MMP8 (0.43) SLC6A2SLC6A4ALDH1A1PSMB5PPARG
SCHEMBL8603455 0.77 SLC6A4 (0.38) SLC6A2SLC6A4ALDH1A1PSMB5PPARG

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