SCHEMBL8714812

SCHEMBL8714812

CCOP(=O)(CS(=O)(=O)O)OCC.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
PPARD Q03181 2/20 0.46
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2855157 0.98 TSHR (0.50) TSHRPPARDTP53TDP1CA12
SCHEMBL8625409 0.77 TSHR (0.40) TSHRPPARDTP53TDP1CA12
SCHEMBL9961218 0.76 TSHR (0.52) TSHRPPARDTP53TDP1MEN1
SCHEMBL159202 0.76 TSHR (0.52) TSHRPPARDTP53TDP1CA1
SCHEMBL9227336 0.76 PPARD (0.56) TSHRPPARDTP53TDP1CA12
SCHEMBL11545238 0.74 TSHR (0.50) TSHRPPARDTP53TDP1CA12
Lithium Ion SCHEMBL8714807 0.73 TSHR (0.48) TSHRPPARDTP53TDP1CA1
SCHEMBL2313241 0.73 TSHR (0.48) TSHRPPARDTP53TDP1MEN1
SCHEMBL192086 0.73 TSHR (0.48) TSHRPPARDTP53TDP1CA1
SCHEMBL8623480 0.72 TSHR (0.36) TSHRPPARDTP53TDP1CA12

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-0642518-B1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 1998-08-05 EP disclosed
US-5731299-A OSTEOPOROSIS; RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-03-24 US disclosed
EP-0642518-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
WO-1993024495-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed