SCHEMBL8947181

SCHEMBL8947181

CCOP(=O)(OCC)C(CC=Cc1ccc(Cc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.40
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARA Q07869 4/20 0.34
PPARD Q03181 3/20 0.34
PPARG P37231 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL8622272 1.00 EED (0.40) EEDPOLBLTA4HMEN1KMT2A
SCHEMBL8624889 0.91 EED (0.39) EEDPOLBMEN1KMT2ANPSR1
SCHEMBL8624891 0.91 EED (0.39) EEDPOLBMEN1KMT2ANPSR1
SCHEMBL8624698 0.86 PTPN1 (0.40) EEDPOLBMEN1KMT2ANR1I2
SCHEMBL8624693 0.86 PTPN1 (0.40) EEDPOLBMEN1KMT2ANR1I2
SCHEMBL8624984 0.83 EED (0.40) EEDPOLBNPSR1GAAALDH1A1
SCHEMBL8624983 0.83 EED (0.40) EEDPOLBNPSR1GAAALDH1A1
SCHEMBL8625391 0.82 S1PR1 (0.41)
SCHEMBL8625397 0.82 S1PR1 (0.41)
SCHEMBL8619951 0.81 PTPN1 (0.38) EEDNPSR1GAAALDH1A1LMNA

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 2 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