SCHEMBL3815992

SCHEMBL3815992

O=S(=O)(CCO)OC1CC(COCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
BUB1 O43683 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NAAA Q02083 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
PDE4D Q08499 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL3832995 0.84 CTSL (0.39) AGTR2CTSLCTSBCTSKBUB1
SCHEMBL5788946 0.81 CTSL (0.41) AGTR2CTSLCTSBCTSKBUB1
SCHEMBL600214 0.74 CYP3A4 (0.42) LMNA
SCHEMBL3958422 0.74 CYP3A4 (0.42) LMNA
SCHEMBL3953338 0.74 CYP3A4 (0.42) LMNA
SCHEMBL22835922 0.74 PDE4D (0.41) AGTR2CTSLCTSBCTSKBUB1
SCHEMBL22835923 0.74 PDE4D (0.41) AGTR2CTSLCTSBCTSKBUB1
SCHEMBL599909 0.74 TSHR (0.48) AGTR2CTSLCTSBCTSKBUB1
SCHEMBL600663 0.74 TSHR (0.48) AGTR2CTSLCTSBCTSKBUB1
SCHEMBL22835948 0.73 MGLL (0.38) AGTR2CTSLCTSBCTSKBUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828145-A4 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION UNIV EMORY (US) 2009-08-19 EP disclosed
EP-1828145-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2007-09-05 EP disclosed
WO-2006063281-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2006-06-15 WO disclosed