SCHEMBL21032571

SCHEMBL21032571

Cc1c(Cc2cccc3c2SCC3)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.67
PTGIR P43119 1/20 0.52
PTGDR Q13258 1/20 0.52

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
SCHEMBL21032915 0.85 PTGDR2 (0.73) PTGDR2PTGIRPTGDR
SCHEMBL21032403 0.80 PTGDR2 (1.00) PTGDR2PTGIRPTGDR
SCHEMBL21032195 0.80 PTGDR2 (0.67) PTGDR2
SCHEMBL1783309 0.79 PTGDR2 (0.71) PTGDR2PTGIRPTGDR
SCHEMBL1784687 0.77 PTGDR2 (0.68) PTGDR2PTGIRPTGDR
SCHEMBL21032547 0.77 PTGDR2 (1.00) PTGDR2PTGIRPTGDR
SCHEMBL1784567 0.76 PTGDR2 (0.67) PTGDR2PTGIRPTGDR
SCHEMBL1786943 0.76 PTGDR2 (0.67) PTGDR2PTGIRPTGDR
SCHEMBL4761775 0.76 PTGDR2 (0.79) PTGDR2PTGIRPTGDR
SCHEMBL1785769 0.75 PTGDR2 (0.66) PTGDR2PTGIRPTGDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed