SCHEMBL9638744

SCHEMBL9638744

CC(C)(C)c1cc(SOP(=O)(O)CP(=O)(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
VCAM1 P19320 10/20 0.41
HMGCR P04035 3/20 0.39
NR1I2 O75469 1/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5659745 0.77 CA2 (0.49) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9638732 0.71 MAPT (0.63) HPNMAPTALOX15SIRT5VCAM1
Probucol SCHEMBL8344272 0.71 HPN (0.81) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL7525968 0.70 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9638256 0.69 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL27427059 0.68 HPN (0.49) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL78134 0.67 MEN1 (0.61) MAPTALOX15HMGCRCA2CA1
SCHEMBL5720628 0.67 MMP2 (0.47) MAPTCA2LMNAMEN1KMT2A
SCHEMBL27429592 0.67 VCAM1 (0.41) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9637888 0.67 HMGCR (0.44) HPNMAPTALOX15SIRT5VCAM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3077894-A None JP disclosed
US-5153183-A Antiarthritic agents TORAY INDUSTRIES, INC. (JP) 1992-10-06 US disclosed
JP-H0377894-A METHYLENE DIPHOSPHONIC ACID COMPOUND TORAY IND INC 1991-04-03 JP disclosed