SCHEMBL22137672

SCHEMBL22137672

CCNC(=O)CC([SiH3])NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.56
CAPN2 P17655 1/20 0.56
CTSS P25774 8/20 0.51
CTSL P07711 8/20 0.51
CTSK P43235 5/20 0.51
CTSB P07858 4/20 0.51
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.48
CTRB1 P17538 2/20 0.48
CASP1 P29466 2/20 0.47

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
SCHEMBL7414295 0.88 CAPN1 (0.60) CAPN1CAPN2CTSSCTSLCTSK
SCHEMBL7420942 0.87 CAPN1 (0.59) CAPN1CAPN2CTSSCTSLCTSK
SCHEMBL137308 0.78 LMNA (0.65) CTSSCTSLCTSKCTSB
SCHEMBL319160 0.77 CTSK (0.64) CTSSCTSLCTSKCTSBSYK
SCHEMBL2895983 0.77 CTSK (0.64) CTSSCTSLCTSKCTSBSYK
SCHEMBL8264787 0.77 ALDH1A1 (0.59) CAPN1CAPN2CTSSCTSLCTSK
SCHEMBL265512 0.77 CTSK (0.64) CTSSCTSLCTSKCTSBSYK
SCHEMBL18822607 0.77 CTSL (0.77) CAPN1CAPN2CTSSCTSLCTSK
SCHEMBL1091875 0.77 ITGB3 (0.54) CTSSCTSLCTSKCTSBCASP1
SCHEMBL1091870 0.77 ITGB3 (0.54) CTSSCTSLCTSKCTSBCASP1

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
WO-2020132004-A1 BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD SAINT LOUIS UNIVERSITY (US) 2020-06-25 WO disclosed