SCHEMBL21032896

SCHEMBL21032896

CC1=Nc2cc(Cc3c(C)n(CC(=O)O)c4ccc(F)cc34)ccc2SN1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.61
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
SCHEMBL24180008 0.84 PTGDR2 (0.60) PTGDR2PTGIRPTGDR
SCHEMBL21032216 0.82 PTGDR2 (0.64) PTGDR2PTGIRPTGDR
SCHEMBL21031860 0.81 PTGDR2 (0.60) PTGDR2PTGIRPTGDR
SCHEMBL21031853 0.78 PTGDR2 (0.64) PTGDR2
SCHEMBL4761775 0.78 PTGDR2 (0.79) PTGDR2PTGIRPTGDR
SCHEMBL1785678 0.77 PTGDR2 (0.74) PTGDR2
SCHEMBL1785782 0.77 PTGDR2 (0.68) PTGDR2PTGIRPTGDR
SCHEMBL21031857 0.76 PTGDR2 (0.64) PTGDR2
SCHEMBL1782239 0.76 PTGDR2 (1.00) PTGDR2PTGIRPTGDR
SCHEMBL1784434 0.76 PTGDR2 (0.77) 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