SCHEMBL13679258

SCHEMBL13679258

C=CC1=C(/C=C\C)C(CO)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL14469420 0.80 POLB (0.38)
SCHEMBL20013298 0.80 HTR2A (0.35) HTR2ATDO2
SCHEMBL13664443 0.72 EGFR (0.38) HTR2A
SCHEMBL23518646 0.72 FABP5 (0.64)
SCHEMBL21179854 0.70
SCHEMBL23185615 0.70 FABP5 (0.70)
SCHEMBL23185607 0.70 FABP5 (0.66)
SCHEMBL18557613 0.69
SCHEMBL26306784 0.68
SCHEMBL14045225 0.68 POLB (0.39)

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-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP disclosed