SCHEMBL8622242

SCHEMBL8622242

CCOP(=O)(OCC)C(CCc1ccc(Oc2ccccc2C)cc1)CS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.39
LPAR5 Q9H1C0 4/20 0.39
FFAR1 O14842 1/20 0.37
MAPK14 Q16539 1/20 0.37
PTGS2 P35354 1/20 0.36
MMP14 P50281 1/20 0.36
LTA4H P09960 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
FDFT1 P37268 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 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 0.88 FDFT1 (0.45) FFAR1LTA4HFDFT1POLB
SCHEMBL8622237 0.82 FDFT1 (0.44) LPAR1LPAR5FFAR1MAPK14PTGS2
SCHEMBL8625399 0.81 POLB (0.42) FDFT1POLB
SCHEMBL8618660 0.81 POLB (0.42) LTA4HPOLB
SCHEMBL8623400 0.81 FFAR1 (0.44) FFAR1LTA4H
SCHEMBL8619659 0.78 EPHX2 (0.38) FDFT1POLB
SCHEMBL8947010 0.74 S1PR1 (0.36) L3MBTL1
SCHEMBL8622277 0.73 FDFT1 (0.47) LPAR1LPAR5FFAR1MAPK14FDFT1
SCHEMBL8620192 0.72 FDFT1 (0.43) MMP14FDFT1THRB
SCHEMBL8624038 0.69 FDFT1 (0.57) FFAR1FDFT1POLB

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