SCHEMBL9638256

SCHEMBL9638256

CC(C)(C)c1cc(SC(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
HMGCR P04035 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VCAM1 P19320 4/20 0.38

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
SCHEMBL7525968 0.98 HPN (0.52) HPNMAPTALOX15SIRT5CA2
SCHEMBL9638253 0.88 HPN (0.45) HPNMAPTALOX15SIRT5CA2
SCHEMBL9723350 0.78 HMGCR (0.58) HPNMAPTALOX15SIRT5CA2
SCHEMBL7531566 0.77 HMGCR (0.60) HPNMAPTALOX15SIRT5CA2
SCHEMBL10698130 0.76 ALOX15 (0.63) HPNMAPTALOX15SIRT5CA2
SCHEMBL10503818 0.76 ALOX15 (0.63) HPNMAPTALOX15SIRT5CA2
Probucol SCHEMBL8344272 0.75 HPN (0.81) HPNMAPTALOX15SIRT5CA2
SCHEMBL9638241 0.75 MMP2 (0.47) MAPTCA2CA1MMP2MMP8
SCHEMBL9504462 0.74 ALOX15 (0.61) HPNMAPTALOX15SIRT5CA2
SCHEMBL646923 0.74 ALOX15 (0.61) 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