SCHEMBL8599327

SCHEMBL8599327

COc1ccc(C(CS(=O)(=O)NCCC(Oc2cccc3ccccc23)C(=O)O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.52
SLC6A2 P23975 5/20 0.52
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASR P41180 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KMT2A Q03164 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MMP9 P14780 1/20 0.39
MEN1 O00255 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL8603616 0.92 SLC6A4 (0.47) SLC6A4SLC6A2KDM4EPPARGPPARA
SCHEMBL8602010 0.86 SLC6A4 (0.46) SLC6A4SLC6A2KDM4EPPARGPPARA
SCHEMBL8604557 0.82 SLC6A4 (0.45) SLC6A4SLC6A2KDM4EGAAPPARG
SCHEMBL8602034 0.78 KMT2A (0.41) SLC6A4SLC6A2PPARGPPARAKMT2A
SCHEMBL8604548 0.77 MMP8 (0.43) SLC6A4SLC6A2KDM4EPPARGPPARA
SCHEMBL9230541 0.75 MTNR1A (0.48) MTNR1AMTNR1BNQO2
SCHEMBL8603715 0.73 SLC6A4 (0.39) SLC6A4SLC6A2KDM4EPPARGPPARA
SCHEMBL8601737 0.73 GAA (0.48) SLC6A4SLC6A2KDM4EGAAPPARG
SCHEMBL8627326 0.73 MTNR1A (0.48) MTNR1AMTNR1BKDM4EKEAP1NFE2L2
SCHEMBL8627320 0.71 MTNR1A (0.50) MTNR1AMTNR1BCNR1CNR2NQO2

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