SCHEMBL8622237

SCHEMBL8622237

CCOP(=O)(OCC)C(CCCc1ccc(Oc2ccccc2C)cc1)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 6/20 0.44
LPAR1 Q92633 4/20 0.41
LPAR5 Q9H1C0 4/20 0.41
PTGS2 P35354 1/20 0.39
FFAR1 O14842 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL8624038 0.88 FDFT1 (0.57) FDFT1FFAR1
SCHEMBL8622277 0.87 FDFT1 (0.47) FDFT1LPAR1LPAR5FFAR1MAPK14
SCHEMBL8625395 0.83 POLB (0.44) FDFT1
SCHEMBL8619968 0.83 POLB (0.47) FDFT1
SCHEMBL8622242 0.82 LPAR1 (0.39) FDFT1LPAR1LPAR5PTGS2FFAR1
SCHEMBL8619955 0.81 FDFT1 (0.53) FDFT1
SCHEMBL8618653 0.81 FDFT1 (0.44) FDFT1
SCHEMBL8623396 0.81 FFAR1 (0.45) FDFT1FFAR1
SCHEMBL8624255 0.78 FDFT1 (0.60) FDFT1
SCHEMBL8620506 0.78 S1PR1 (0.50) FDFT1PTGS2MAPK14

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 3 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 disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed