SCHEMBL23401993

SCHEMBL23401993

CCCc1cnn(CC(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.35
MAPK14 Q16539 1/20 0.34
HTR2A P28223 6/20 0.32
HTR2C P28335 6/20 0.32
HTR2B P41595 6/20 0.32
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HTR1D P28221 1/20 0.32
HTR7 P34969 1/20 0.32
HTR4 Q13639 1/20 0.32
ACHE P22303 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
SCHEMBL23398562 0.90 TYR (0.34) TOP2AMAPK14HTR2AHTR2CHTR2B
SCHEMBL23400314 0.86 TOP2A (0.36) TOP2AMAPK14HTR2AHTR2CHTR2B
SCHEMBL23400770 0.82 GABRA1 (0.38) TOP2AHTR2AHTR2CHTR2BHTR1A
SCHEMBL23401071 0.82 HTT (0.36)
SCHEMBL23400738 0.80 POLB (0.40) TOP2A
SCHEMBL23403077 0.77 TOP2A (0.35) TOP2AHTR2AHTR2CHTR2B
SCHEMBL23403021 0.76 MAPK14 (0.41) MAPK14HTR2AHTR2CHTR2BHTR1A
SCHEMBL23403139 0.74 HTR2A (0.37) TOP2AMAPK14HTR2AHTR2CHTR2B
SCHEMBL23402638 0.73 HTR2C (0.34) TOP2AHTR2AHTR2CHTR2BHTR1A
SCHEMBL23401889 0.72 HMGCR (0.33)

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed