SCHEMBL8624696

SCHEMBL8624696

COCCc1ccccc1Oc1ccccc1CCCC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
P2RY10 O00398 1/20 0.33

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
SCHEMBL8621528 0.88 HTR2A (0.40) FDFT1
SCHEMBL8947028 0.86 FDFT1 (0.56) FDFT1
SCHEMBL8624779 0.85 FDFT1 (0.35) FDFT1
SCHEMBL8625452 0.84 AKR1C3 (0.35) FDFT1
SCHEMBL8625441 0.83 ICAM1 (0.39) FDFT1
SCHEMBL8623460 0.80 FDFT1 (0.44) FDFT1
SCHEMBL8947039 0.78 LAP3 (0.36) FDFT1
SCHEMBL8624700 0.78 FDFT1 (0.38) FDFT1
SCHEMBL8618807 0.77 FDFT1 (0.56) FDFT1
SCHEMBL8625373 0.76 FDFT1 (0.56) FDFT1

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
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US claimed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed