SCHEMBL7545958

SCHEMBL7545958

CCCCC(CCC)(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.35
TP53 P04637 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
EPHX1 P07099 1/20 0.32
GGPS1 O95749 7/20 0.31
PPARA Q07869 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL9373069 0.88 FDPS (0.41) FDPSTP53CA1CA2GGPS1
SCHEMBL22608764 0.86 GGPS1 (0.45) FDPSCA1CA2GGPS1
SCHEMBL7552095 0.80 FDPS (0.32) FDPS
SCHEMBL29002122 0.76 FDPS (0.35) FDPSTP53CA1CA2ESR1
SCHEMBL1115449 0.74 FDPS (0.46) FDPSTP53CA1CA2GGPS1
SCHEMBL14093062 0.73 FDPS (0.37) FDPSTP53CA1CA2ESR1
SCHEMBL8522664 0.73 FDPS (0.37) FDPSTP53CA1CA2GGPS1
SCHEMBL29002118 0.71 FDPS (0.35) FDPSTP53CA1CA2EPHX1
SCHEMBL18007903 0.71 EPHX1 (0.41) EPHX1
SCHEMBL8522328 0.71 FDPS (0.45) FDPSTP53CA1CA2EPHX1

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-0662510-B1 Hydrotropic agents and compositions containing them STEPAN EUROPE (FR) 2002-06-12 EP disclosed
EP-0662510-A1 Hydrotropic agents and compositions containing them STEPAN EUROPE (FR) 1995-07-12 EP disclosed