SCHEMBL8624779

SCHEMBL8624779

CCOCc1ccccc1Oc1ccccc1CCCC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.35
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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 0.85 HTR2A (0.40) FDFT1
SCHEMBL8624696 0.85 FDFT1 (0.37) FDFT1
SCHEMBL8625452 0.81 AKR1C3 (0.35) FDFT1
SCHEMBL8625441 0.81 ICAM1 (0.39) FDFT1THRATHRB
SCHEMBL8623460 0.79 FDFT1 (0.44) FDFT1
SCHEMBL8618807 0.77 FDFT1 (0.56) FDFT1
SCHEMBL8824820 0.76 LAP3 (0.33)
SCHEMBL8618690 0.75 FDFT1 (0.52) FDFT1
SCHEMBL8625373 0.75 FDFT1 (0.56) FDFT1
SCHEMBL8623463 0.73 ACP3 (0.34) THRATHRB

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