SCHEMBL9637973

SCHEMBL9637973

CC(C)(C)c1cc(SC(O[PH](=O)O)O[PH](=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
VCAM1 P19320 12/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9638237 0.79 CA1 (0.34) MAPTCA2CA1MEN1KMT2A
SCHEMBL10503818 0.74 ALOX15 (0.63) HPNMAPTALOX15SIRT5CA2
SCHEMBL10698130 0.74 ALOX15 (0.63) HPNMAPTALOX15SIRT5CA2
SCHEMBL646923 0.72 ALOX15 (0.61) HPNMAPTALOX15SIRT5CA2
SCHEMBL9504462 0.72 ALOX15 (0.61) HPNMAPTALOX15SIRT5CA2
SCHEMBL4951465 0.71 HMGCR (0.40) HPNMAPTALOX15SIRT5CA2
SCHEMBL2279291 0.71 HMGCR (0.52) MAPTALOX15CA2CA1SMN1; SMN2
SCHEMBL9276507 0.71 CA2 (0.39) HPNMAPTALOX15SIRT5CA2
SCHEMBL10963673 0.70 HPN (0.53) HPNMAPTALOX15SIRT5CA2
SCHEMBL698499 0.70 CA2 (0.45) HPNMAPTALOX15SIRT5CA2

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-5153183-A Antiarthritic agents TORAY INDUSTRIES, INC. (JP) 1992-10-06 US disclosed
EP-0440809-A1 METHYLENEDIPHOSPHONIC ACID COMPOUND AND ANTI-INFLAMMATORY CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 1991-08-14 EP disclosed