SCHEMBL8619659

SCHEMBL8619659

CCOP(=O)(OCC)C(CCc1ccc(-c2ccc3ccccc3c2)cc1)CS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
UTRN P46939 2/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
FDFT1 P37268 1/20 0.35
PSMB5 P28074 2/20 0.35
GAA P10253 1/20 0.35
PDE4D Q08499 1/20 0.35
POLB P06746 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
UTS2R Q9UKP6 2/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL8624041 0.82 FDFT1 (0.45) FDFT1GAAPOLB
SCHEMBL8618660 0.82 POLB (0.42) MMP2MMP3GAAPOLB
SCHEMBL8625399 0.82 POLB (0.42) FDFT1GAAPOLB
SCHEMBL8619655 0.82 FDFT1 (0.44) EPHX2MMP2MMP3FDFT1HDAC1
SCHEMBL8623400 0.80 FFAR1 (0.44) EPHX2CA1CA2CA9CA12
SCHEMBL8622242 0.78 LPAR1 (0.39) FDFT1POLB
SCHEMBL8947010 0.73 S1PR1 (0.36) MMP2MMP3
SCHEMBL8623258 0.69 EED (0.38) EPHX2UTRNCA1CA2CA9
SCHEMBL8623263 0.69 EED (0.38) EPHX2UTRNCA1CA2CA9
SCHEMBL8620857 0.69 FDFT1 (0.47) FDFT1HDAC1

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 4 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
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed