SCHEMBL3832995

SCHEMBL3832995

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
AGTR2 P50052 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NAAA Q02083 1/20 0.36
BUB1 O43683 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3815992 0.84 AGTR2 (0.40) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL5788946 0.83 CTSL (0.41) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL600214 0.76 CYP3A4 (0.42) LMNACA1CA2CA9BCHE
SCHEMBL3953338 0.76 CYP3A4 (0.42) LMNACA1CA2CA9BCHE
SCHEMBL3958422 0.76 CYP3A4 (0.42) LMNACA1CA2CA9BCHE
SCHEMBL477846 0.74 CTSL (0.49) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL477845 0.74 CTSL (0.49) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL16316719 0.74 CTSL (0.49) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL31586519 0.74 CTSL (0.43) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL31586211 0.72 CTSL (0.42) CTSLCTSBCTSKAGTR2LMNA

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