SCHEMBL27451641

SCHEMBL27451641

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(C=O)CCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ACE P12821 2/20 0.43
KLK5 Q9Y337 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7269676 0.79 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL3803942 0.78 ATM (0.53) ATMCTSSCTSKCTSLCTSB
SCHEMBL28921896 0.78 ATM (0.53) ATMCTSSCTSKCTSLCTSB
SCHEMBL640483 0.75 CTSS (0.58) ATMCTSSCTSKCTSLCTSB
SCHEMBL2348792 0.73 ATM (0.50) ATMCTSSCTSKCTSLCTSB
SCHEMBL6570741 0.73 ATM (0.47) ATMCTSSCTSKCTSLCTSB
SCHEMBL9296612 0.73 ATM (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL18928686 0.72 ATM (0.51) ATMCTSSCTSKCTSLCTSB
SCHEMBL2281947 0.72 ATM (0.48) ATMCTSSCTSKCTSLCTSB
SCHEMBL4511214 0.72 ATM (0.48) ATMCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1108955-A The use of compositions for combating tumour diseases CIBA GEIGY AG (CH) 1995-09-27 CN disclosed