SCHEMBL7769946

SCHEMBL7769946

Oc1cc[c]c(C2CCCCC2)c1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.34
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL7637939 0.83 FEN1 (0.35) ACMSDNUDT1BACE1HSP90AA1KDM4E
SCHEMBL961820 0.77 HDAC4 (0.40) ACMSDNUDT1BACE1HSP90AA1KDM4E
SCHEMBL2476796 0.74 DAO (0.31)
SCHEMBL9245064 0.72 CEL (0.39) NUDT1BACE1HSP90AA1
SCHEMBL23071382 0.69 CEL (0.33)
SCHEMBL21798704 0.69 CEL (0.33)
SCHEMBL8429568 0.69 LMNA (0.31)
SCHEMBL11409161 0.67 CYP1B1 (0.39) KDM4EMEN1MAPTKMT2A
SCHEMBL9137720 0.67
SCHEMBL529103 0.67 PTGDR2 (0.36) NUDT1BACE1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
WO-1999039748-A1 TARGETING IMMUNOREAGENTS USEFUL IN THERAPEUTIC AND DIAGNOSTIC COMPOSITIONS AND METHODS NYCOMED IMAGING AS (NO) 1999-08-12 WO disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5760191-A Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods NYCOMED IMAGING AS (NO) 1998-06-02 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed