SCHEMBL8621528

SCHEMBL8621528

CC(C)CCc1ccccc1Oc1ccccc1CCCC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
FDFT1 P37268 5/20 0.37
ALDH1A1 P00352 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 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
SCHEMBL8624696 0.88 FDFT1 (0.37) FDFT1
SCHEMBL8947009 0.86 FDFT1 (0.56) FDFT1
SCHEMBL8624779 0.85 FDFT1 (0.35) FDFT1
SCHEMBL8625452 0.84 AKR1C3 (0.35) FDFT1ALDH1A1
SCHEMBL8625441 0.83 ICAM1 (0.39) FDFT1ALDH1A1ADRB2ADRB1
SCHEMBL8623460 0.80 FDFT1 (0.44) FDFT1
SCHEMBL8947013 0.79 HTR2A (0.35) HTR2AFDFT1
SCHEMBL8621531 0.78 FDFT1 (0.38) HTR2AFDFT1
SCHEMBL8618807 0.77 FDFT1 (0.56) FDFT1
SCHEMBL8957418 0.77 HRH1 (0.44) HTR2A

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