SCHEMBL4952365

SCHEMBL4952365

CC(CO[Si](C)(C)C(C)(C)C)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.47
TSHR P16473 2/20 0.45
CASP6 P55212 1/20 0.45
PDK1 Q15118 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL1483076 0.79 TSHR (0.49) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL21319 0.78 CASP6 (0.57) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL27589008 0.74 CASP6 (0.53) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL7573511 0.74 PDK1 (0.70) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL29886944 0.74 HCAR3 (0.55) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL6892370 0.74 HCAR3 (0.55) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL31378637 0.73 CYP1A2 (0.38) LMNAMEN1KMT2A
SCHEMBL20214261 0.73 HCAR3 (0.44) HCAR3TSHRCASP6PDK1MEN1
SCHEMBL23752094 0.73 CASP6 (0.62) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL4528943 0.72 CASP6 (0.60) HCAR3TSHRCASP6PDK1LMNA

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-2008107489-A1 APTAMER-BASED REAGENTS FOR A TARGET MOLECULE INVOLVED IN HEMOSTASIS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2008-09-12 WO disclosed