SCHEMBL18654075

SCHEMBL18654075

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 2/20 0.45
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
GFER P55789 1/20 0.43
CTSB P07858 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1054435 0.83 SYK (0.48) SYKSMN1; SMN2LMNACTSSCTSL
SCHEMBL11886701 0.83 SYK (0.54) SYKSMN1; SMN2LMNACTSSCTSL
SCHEMBL28766687 0.83 SYK (0.48) SYKSMN1; SMN2LMNACTSSCTSL
SCHEMBL11886704 0.82 SYK (0.47) SYKSMN1; SMN2LMNACTSSCTSL
SCHEMBL30500895 0.81 SYK (0.60) SYKSMN1; SMN2LMNACTSSATM
SCHEMBL4252270 0.81 SMN1; SMN2 (0.52) SYKSMN1; SMN2LMNACTSSCTSL
SCHEMBL13569335 0.81 SMN1; SMN2 (0.52) SYKSMN1; SMN2LMNACTSSCTSL
SCHEMBL969931 0.79 LMNA (0.51) SMN1; SMN2LMNAATMHTTMAPT
SCHEMBL20556351 0.78 SYK (0.47) SYKSMN1; SMN2LMNACTSSCTSL
SCHEMBL9741135 0.76 LMNA (0.50) SYKSMN1; SMN2LMNACTSSCTSL

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
EP-2595483-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 EP disclosed