SCHEMBL28408174

SCHEMBL28408174

COCC1=Cc2ccccc2C1C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
HTR2A P28223 6/20 0.32
HTR2C P28335 6/20 0.32
HTR2B P41595 6/20 0.32
HRH3 Q9Y5N1 5/20 0.32
P2RX3 P56373 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL28401867 0.98 HTR2A (0.34) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL11034548 0.81 HTR2A (0.33) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL28369346 0.74 SIGMAR1 (0.33)
SCHEMBL7164210 0.72 PRCP (0.36) HTR2AHTR2CHTR2BHRH3PTGDR2
SCHEMBL1907201 0.71 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL8648643 0.69 PTGDR2 (0.33) HTR1DHTR1BPTGDR2
SCHEMBL2806120 0.69 HTR2A (0.33) HTR2AHTR2CHTR2BHRH3
SCHEMBL5331264 0.68 PTGDR2 (0.36) HTR2AHTR2CHTR2BHRH3PTGDR2
SCHEMBL15648420 0.68 HTR1D (0.34) HTR1DHTR1BPTGDR2
SCHEMBL15648148 0.67 PTGDR2 (0.34) HTR1DHTR1BPTGDR2

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
CN-111217943-A Spherical catalyst for olefin polymerization 陈双云 2020-06-02 CN disclosed