SCHEMBL8947035

SCHEMBL8947035

CCCCCCOc1ccc2cc(/C=C/CC(P(=O)(OCC)OCC)S(=O)(=O)O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.40
THRA P10827 2/20 0.38
MTNR1A P48039 2/20 0.37
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
GGPS1 O95749 3/20 0.36
THRB P10828 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
AHR P35869 1/20 0.35

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
SCHEMBL8618716 1.00 PLA2G4A (0.40) PLA2G4ATHRAMTNR1ATLR4TLR2
SCHEMBL8625397 0.81 S1PR1 (0.41)
SCHEMBL8624079 0.80 S1PR1 (0.40) PLA2G4ATHRAMTNR1AGGPS1
SCHEMBL8623258 0.77 EED (0.38)
SCHEMBL8625440 0.77 FDFT1 (0.40)
SCHEMBL8625446 0.77 FDFT1 (0.40)
SCHEMBL8624698 0.76 PTPN1 (0.40) TLR4TLR2
SCHEMBL8619953 0.76 PTPN1 (0.38) THRB
SCHEMBL8624983 0.73 EED (0.40)
SCHEMBL8624889 0.72 EED (0.39)

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-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