SCHEMBL8621189

SCHEMBL8621189

C/C(=C\CCCC(P(=O)(O)O)S(=O)(=O)O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
ACP3 P15309 1/20 0.39

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
SCHEMBL8621102 1.00 ANPEP (0.40) ANPEPERAP1ERAP2TRPV1ACP3
SCHEMBL8621107 1.00 ANPEP (0.40) ANPEPERAP1ERAP2TRPV1ACP3
SCHEMBL27396721 0.99 ANPEP (0.39) ANPEPERAP1ERAP2TRPV1ACP3
SCHEMBL27416174 0.99 ANPEP (0.39) ANPEPERAP1ERAP2TRPV1ACP3
SCHEMBL9248060 0.98 TRPV1 (0.43) TRPV1
SCHEMBL8620890 0.98 TRPV1 (0.43) TRPV1
SCHEMBL8620886 0.98 TRPV1 (0.43) TRPV1
SCHEMBL8624098 0.94 LSS (0.40) ANPEPERAP1ERAP2ACP3
SCHEMBL8624092 0.94 LSS (0.40) ANPEPERAP1ERAP2ACP3
SCHEMBL8624211 0.93 FDFT1 (0.43) ACP3

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