SCHEMBL9858299

SCHEMBL9858299

O=C(O)C(CCCCOc1ccc(Cl)cc1)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.50
PPARA Q07869 7/20 0.50
TAAR1 Q96RJ0 1/20 0.49
PTGES O14684 1/20 0.47
FFAR1 O14842 3/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ADAMTS5 Q9UNA0 2/20 0.42
MGLL Q99685 1/20 0.41
PLA2G4B P0C869 1/20 0.41
LTA4H P09960 1/20 0.41
ADAMTS4 O75173 1/20 0.41

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
SCHEMBL9858293 0.92 FFAR1 (0.47) PPARGTAAR1PTGESFFAR1ITGB3
SCHEMBL9613899 0.89 TAAR1 (0.47) PPARGPPARATAAR1PTGESFFAR1
SCHEMBL9614112 0.85 PPARA (0.48) PPARGPPARAALDH1A1
SCHEMBL9614107 0.85 PPARA (0.48) PPARGPPARAALDH1A1
SCHEMBL9858450 0.85 PPARA (0.48) PPARGPPARAALDH1A1
SCHEMBL9614490 0.83 PPARA (0.53) PPARGPPARA
SCHEMBL9614103 0.83 PPARG (0.44) PPARGPPARA
SCHEMBL9614023 0.81 PPARA (0.47) PPARGPPARA
SCHEMBL9613850 0.81 PPARG (0.45) PPARGPPARATAAR1MMP3ADAMTS5
SCHEMBL9614046 0.81 PPARA (0.48) PPARGPPARAALDH1A1MGLL

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-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed