SCHEMBL8947208

SCHEMBL8947208

O=P(O)(O)C(CCCCCCc1ccc(-c2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.54
S1PR2 O95136 2/20 0.50
S1PR4 O95977 2/20 0.50
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
HDAC2 Q92769 2/20 0.46
HDAC1 Q13547 1/20 0.46
LPAR1 Q92633 2/20 0.46
ACP3 P15309 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL23752399 0.94 FDFT1 (0.60) FDFT1ACP3
SCHEMBL8621199 0.94 FDFT1 (0.60) FDFT1ACP3
SCHEMBL8946999 0.94 FDFT1 (0.60) FDFT1ACP3
SCHEMBL8619710 0.91 S1PR2 (0.58) S1PR2S1PR4S1PR1S1PR3HDAC1
SCHEMBL8625400 0.91 S1PR2 (0.58) S1PR2S1PR4S1PR1S1PR3HDAC1
SCHEMBL8618777 0.87 FDFT1 (0.47) FDFT1ACP3
SCHEMBL8621425 0.86 FDFT1 (0.50) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8621508 0.85 FDFT1 (0.49) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8622304 0.84 FDFT1 (0.58) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8621086 0.83 FDFT1 (0.56) FDFT1S1PR2S1PR4S1PR1S1PR3

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