SCHEMBL9813749

SCHEMBL9813749

CCCCCCS(=O)(=O)CCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
PLA2G4B P0C869 3/20 0.53
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
TSHR P16473 1/20 0.51
PLA2G4A P47712 4/20 0.49
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
TBXA2R P21731 1/20 0.47
TBXAS1 P24557 1/20 0.47
PTPRC P08575 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL5696314 0.87 PPARA (0.69) PPARAPPARGPLA2G4BTSHRPLA2G4A
SCHEMBL4001417 0.87 PPARA (0.69) PPARAPPARGPLA2G4BTSHRPLA2G4A
SCHEMBL5696298 0.87 PPARA (0.69) PPARAPPARGPLA2G4BTSHRPLA2G4A
SCHEMBL446792 0.87 PPARA (0.69) PPARAPPARGPLA2G4BTSHRPLA2G4A
SCHEMBL3997525 0.87 PPARA (0.69) PPARAPPARGPLA2G4BTSHRPLA2G4A
SCHEMBL2054507 0.86 PPARA (0.67) PPARAPPARGPLA2G4BTSHRPLA2G4A
SCHEMBL12611895 0.84 ALDH1A1 (0.61) PPARAPPARGPLA2G4BTSHRPTPN1
SCHEMBL9653716 0.83 PPARA (0.64) PPARAPPARGPLA2G4BTSHRPLA2G4A
SCHEMBL11332214 0.83 TBXA2R (0.58) PPARAPPARGPLA2G4BPSEN1PSEN2
SCHEMBL11332902 0.83 TBXA2R (0.58) PPARAPPARGPLA2G4BPSEN1PSEN2

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