SCHEMBL9858293

SCHEMBL9858293

O=C(O)C(CCCCOc1ccccc1)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
TAAR1 Q96RJ0 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MGLL Q99685 1/20 0.43
PLA2G4B P0C869 1/20 0.42
LTA4H P09960 1/20 0.42
KCNA3 P22001 1/20 0.42
ALOX5 P09917 3/20 0.42
PTGES O14684 2/20 0.42
PPARG P37231 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
S1PR1 P21453 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL9858299 0.92 PPARG (0.50) FFAR1TAAR1ITGB3ITGA2BMGLL
SCHEMBL9613898 0.86 LMNA (0.44) MEN1KMT2A
SCHEMBL10420392 0.85 TRPA1 (0.48) ALOX5CA2S1PR1
SCHEMBL9613974 0.85 TRPA1 (0.48) ALOX5CA2S1PR1
SCHEMBL9614372 0.81 PPARG (0.41) FFAR1ALOX5PTGESPPARGS1PR1
SCHEMBL9614317 0.80 MMP3 (0.52) ALOX5MEN1KMT2A
SCHEMBL9614190 0.80 MMP3 (0.52) ALOX5MEN1KMT2A
SCHEMBL9613899 0.80 TAAR1 (0.47) FFAR1TAAR1PTGESPPARGCA12
SCHEMBL9614321 0.80 CA2 (0.41) FFAR1ALOX5PTGESPPARGCA1
SCHEMBL9614055 0.79 TRPA1 (0.48) ALOX5CA2S1PR1

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