SCHEMBL263533

SCHEMBL263533

CC(C(=O)O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SYK P43405 1/20 0.45
CTSK P43235 7/20 0.45
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CTSS P25774 5/20 0.44
CTSL P07711 4/20 0.44
CTSB P07858 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL25401074 0.90 ATM (0.47) ATMSYKCTSKITGB3ITGA2B
SCHEMBL25401078 0.90 ATM (0.47) ATMSYKCTSKITGB3ITGA2B
SCHEMBL5826373 0.88 CTSS (0.48) ATMSYKCTSKCTSSCTSL
SCHEMBL5724014 0.86 ATM (0.50) ATMSYKCTSKCTSSCTSL
SCHEMBL23455702 0.86 PPARA (0.51) ATMSYKCTSKITGB3ITGA2B
SCHEMBL10045788 0.86 PPARA (0.51) ATMSYKCTSKITGB3ITGA2B
SCHEMBL13727930 0.86 CTSS (0.43) ATMSYKCTSKITGB3ITGA2B
SCHEMBL13727926 0.86 CTSS (0.43) ATMSYKCTSKITGB3ITGA2B
SCHEMBL5724195 0.85 SYK (0.52) ATMSYKCTSKITGB3ITGA2B
SCHEMBL10045790 0.83 CTSS (0.49) ATMSYKCTSKITGB3ITGA2B

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
US-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 US disclosed