SCHEMBL24340615

SCHEMBL24340615

CCCOCCOCCOCCC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SPHK2 Q9NRA0 1/20 0.33
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL16404829 0.93 CYP1A2 (0.50) CYP1A2SPHK2NFE2L2
SCHEMBL6937266 0.91 CYP1A2 (0.54) CYP1A2SPHK2NFE2L2
SCHEMBL3489813 0.88
SCHEMBL24042735 0.85 NFE2L2 (0.39) CYP1A2NFE2L2
SCHEMBL28329353 0.85 NFE2L2 (0.38) CYP1A2NFE2L2
SCHEMBL23014885 0.83 CYP1A2 (0.50) CYP1A2SPHK2MEN1THRBHTT
SCHEMBL12461290 0.81
SCHEMBL21938959 0.80 CYP1A2 (0.44) CYP1A2NFE2L2MEN1HTTKMT2A
SCHEMBL6437482 0.80 CYP1A2 (0.64) CYP1A2HRH3
SCHEMBL7765919 0.80 CYP1A2 (0.64) CYP1A2NFE2L2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3981819-B1 NOVEL REAGENTS FOR DIRECTED BIOMARKER SIGNAL AMPLIFICATION SIRIGEN II LTD (GB) 2024-02-28 EP disclosed
EP-3981819-A2 NOVEL REAGENTS FOR DIRECTED BIOMARKER SIGNAL AMPLIFICATION Sirigen II Limited (GB) 2022-04-13 EP disclosed