SCHEMBL9439337

SCHEMBL9439337

CC(C)(C)[Si](C)(C)O[C@H](CN1CCCC1=O)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSS P25774 7/20 0.34
REN P00797 3/20 0.34
PIK3CD O00329 1/20 0.34
CTSK P43235 4/20 0.33
CTSL P07711 3/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7295043 1.00 GAA (0.37) GAATSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL9439343 0.79 CTSK (0.36) CTSSRENCTSKCTSL
SCHEMBL7303004 0.79 CTSK (0.36) CTSSRENCTSKCTSL
SCHEMBL7295178 0.78 PIK3CD (0.39) GAATSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL9439766 0.78 PIK3CD (0.39) GAATSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL7268415 0.74 CTSK (0.37) ALDH1A1CTSSRENCTSKCTSL
SCHEMBL7278776 0.72 CTSK (0.42) CTSSCTSKCTSL
SCHEMBL7269844 0.72 CTSK (0.42) CTSSCTSKCTSL
SCHEMBL3565758 0.72 REN (0.39) TSHRCTSSRENCTSK
SCHEMBL3565755 0.72 REN (0.39) TSHRCTSSRENCTSK

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-5278148-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed