SCHEMBL8623396

SCHEMBL8623396

CCOP(=O)(OCC)C(CCCc1ccc(OCCc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
FDFT1 P37268 1/20 0.43
PPARG P37231 4/20 0.42
PPARA Q07869 1/20 0.42
PTGES O14684 3/20 0.42
ALOX5 P09917 3/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8625395 0.90 POLB (0.44) FDFT1MEN1KMT2A
SCHEMBL8619968 0.89 POLB (0.47) FDFT1MEN1KMT2A
SCHEMBL8624038 0.87 FDFT1 (0.57) FFAR1FDFT1PPARG
SCHEMBL8618653 0.87 FDFT1 (0.44) FDFT1MEN1KMT2A
SCHEMBL8619955 0.85 FDFT1 (0.53) CA12CA1CA2CA9FDFT1
SCHEMBL8620662 0.85 FFAR1 (0.50) FFAR1CA12CA1CA2CA7
SCHEMBL8624285 0.85 FDFT1 (0.37) FDFT1PPARGPPARA
SCHEMBL8624761 0.84 S1PR1 (0.44) FDFT1
SCHEMBL8623400 0.81 FFAR1 (0.44) FFAR1CA12CA1CA2CA7
SCHEMBL8625401 0.81 POLB (0.45) FDFT1MEN1KMT2A

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