SCHEMBL21028035

SCHEMBL21028035

CSc1ccc(Cc2c3n(c4ccc(F)cc24)CC(C(=O)O)CC3)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.48
TBXA2R P21731 2/20 0.43
PTGDR Q13258 1/20 0.43
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL21028032 0.86 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21028332 0.82 PTGDR2 (0.43) PTGDR2
SCHEMBL21027877 0.81 PTGDR2 (0.45) PTGDR2TBXA2RPTGDR
SCHEMBL21028008 0.80 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027863 0.78 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027842 0.77 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027847 0.77 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027862 0.76 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027977 0.75 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRSLC6A3
SCHEMBL21027843 0.75 PTGDR2 (0.51) 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