SCHEMBL21028301

SCHEMBL21028301

O=C(O)C1CCc2c(Cc3cccc4c3CCS4)c3cc(F)ccc3n2C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.42
TBXA2R P21731 3/20 0.41
PTGDR Q13258 2/20 0.41
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL21028009 0.85 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21028028 0.81 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027846 0.77 PTGDR2 (0.55) PTGDR2TBXA2RPTGDR
SCHEMBL21032915 0.75 PTGDR2 (0.73) PTGDR2PTGDR
SCHEMBL21027847 0.74 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027862 0.74 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21028008 0.73 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21028035 0.72 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027848 0.72 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027880 0.72 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRSLC6A3

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-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed