SCHEMBL6892370

SCHEMBL6892370

COCCOCOCC(C)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.55
TSHR P16473 2/20 0.44
CASP6 P55212 1/20 0.44
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
PDK1 Q15118 1/20 0.42
LMNA P02545 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
SCHEMBL29886944 1.00 HCAR3 (0.55) HCAR3TSHRCASP6MYCMAX
SCHEMBL6889360 0.86 HCAR3 (0.41) HCAR3PDK1LMNA
Alcohol SCHEMBL7048031 0.84 ALDH1A1 (0.40) HCAR3PDK1LMNA
SCHEMBL6892374 0.77 HCAR3 (0.51) HCAR3TSHRCASP6MYCMAX
SCHEMBL21319 0.77 CASP6 (0.57) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL17511817 0.75 HCAR3 (0.58) HCAR3TSHRCASP6LMNA
SCHEMBL4952365 0.74 HCAR3 (0.47) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL27589008 0.73 CASP6 (0.53) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL7573511 0.73 PDK1 (0.70) HCAR3TSHRCASP6PDK1LMNA
SCHEMBL23752094 0.72 CASP6 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019107-A1 REVERSIBLY INHIBITED BINDING MOLECULES Precision Immunotherapeutics Limited (GB) 2023-01-19 US disclosed
EP-4073121-A1 REVERSIBLY INHIBITED BINDING MOLECULES Precision Immunotherapeutics Limited (GB) 2022-10-19 EP disclosed
WO-2021116699-A1 REVERSIBLY INHIBITED BINDING MOLECULES Precision Immunotherapeutics Limited (GB) 2021-06-17 WO disclosed
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed