SCHEMBL9638720

SCHEMBL9638720

CC(C)(C)c1cc(SS)cc(C(C)(C)C)c1O[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
VCAM1 P19320 4/20 0.32

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
SCHEMBL9637933 0.86 MAPT (0.36) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9638282 0.75
SCHEMBL1826724 0.75 PTGDR2 (0.33) MAPTALOX15
SCHEMBL10659842 0.75 KDM4E (0.30) MAPTALOX15
SCHEMBL10661289 0.75 KDM4E (0.30) MAPTALOX15
SCHEMBL3788910 0.75 KDM4E (0.30) MAPTALOX15
SCHEMBL10657572 0.73
SCHEMBL10576170 0.73
SCHEMBL9637945 0.73 TDP1 (0.34) VCAM1
SCHEMBL10657582 0.72

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