SCHEMBL8799355

SCHEMBL8799355

CCCCC(NC(=O)OCC(Cl)(Cl)Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSS P25774 4/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 1/20 0.44
CTSH P09668 1/20 0.44
NOD1 Q9Y239 5/20 0.43
TGM2 P21980 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CA2 P00918 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL30355296 0.85 FOLH1 (0.44) CTSKTGM2CA2
SCHEMBL8572501 0.84 FOLH1 (0.50) TGM2CA2
SCHEMBL8572497 0.84 FOLH1 (0.50) TGM2CA2
SCHEMBL11206875 0.82 FOLH1 (0.46) TGM2SIRT2SIRT1
Hydrochloric Acid SCHEMBL22283120 0.82 FOLH1 (0.49) TGM2CA2
SCHEMBL9832042 0.82 NOD1 (0.49) CTSKCTSSCTSLNOD1TGM2
SCHEMBL9832048 0.82 NOD1 (0.49) CTSKCTSSCTSLNOD1TGM2
SCHEMBL16867534 0.81 FOLH1 (0.53)
SCHEMBL9830456 0.81 NOD1 (0.47) CTSKCTSSCTSLNOD1TGM2
SCHEMBL9830451 0.81 NOD1 (0.47) CTSKCTSSCTSLNOD1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
EP-0460950-B1 Radicicol derivatives, their preparation and their anti-tumour activity SANKYO CO (JP) 1997-03-05 EP disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP disclosed