SCHEMBL8620665

SCHEMBL8620665

O=P(O)(O)C(CCC(OCCc1ccccc1)c1ccccc1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.46
ANPEP P15144 3/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 2/20 0.40
CYP2D6 P10635 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
S1PR2 O95136 2/20 0.35
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
SRC P12931 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
SCHEMBL8623402 0.85 POLB (0.44) ACP3
SCHEMBL8620037 0.79
SCHEMBL8623419 0.79 SLC6A4 (0.46) ACP3SRC
SCHEMBL8620195 0.78 F2 (0.39) ACP3
SCHEMBL8621511 0.77 ACP3 (0.48) ACP3ANPEPERAP1ERAP2CYP2D6
SCHEMBL8621508 0.76 FDFT1 (0.49) ACP3ANPEPERAP1ERAP2S1PR2
SCHEMBL8625400 0.76 S1PR2 (0.58) ACP3ANPEPERAP1ERAP2S1PR2
SCHEMBL8619710 0.76 S1PR2 (0.58) ACP3ANPEPERAP1ERAP2S1PR2
SCHEMBL8623278 0.75 FDFT1 (0.42) ACP3
SCHEMBL8620662 0.75 FFAR1 (0.50) CA1CA2CA9S1PR1S1PR3

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 6 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
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP claimed
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