SCHEMBL9813784

SCHEMBL9813784

O=C(O)COc1cccc(CCCCS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.64
PPARG P37231 2/20 0.64
MGLL Q99685 1/20 0.55
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA4 P22748 4/20 0.52
CA9 Q16790 4/20 0.52
PTGIR P43119 2/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.51
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.47
FFAR1 O14842 1/20 0.46
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46

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
SCHEMBL9813851 0.96 PPARA (0.62) PPARAPPARGMGLLCA12CA1
SCHEMBL9813826 0.90 PPARA (0.59) PPARAPPARGMGLLCA12CA1
SCHEMBL9813750 0.90 PPARA (0.59) PPARAPPARGMGLLCA12CA1
SCHEMBL9813802 0.86 PPARA (0.57) PPARAPPARGCA12CA1CA2
SCHEMBL9813812 0.86 PPARA (0.57) PPARAPPARGCA12CA1CA2
SCHEMBL2769715 0.83 PPARA (0.74) PPARAPPARGPTGIRPTGDR2ALOX15
SCHEMBL8351512 0.83 PPARA (0.59) PPARAPPARGMGLLCA12CA1
SCHEMBL9813009 0.83 TBXA2R (0.63) PPARAPPARGCA12CA1CA2
SCHEMBL9812947 0.81 TBXA2R (0.65) PPARAPPARGCA12CA1CA2
SCHEMBL9813734 0.81 TBXA2R (0.64) PPARAMGLLPTGIRALOX15FFAR1

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
EP-0301421-B1 SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1991-08-28 EP disclosed
EP-0301421-A2 Sulfur compounds, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1989-02-01 EP disclosed