SCHEMBL22700856

SCHEMBL22700856

Cc1c(Cc2ccc3c(c2)C(F)(F)CCS3)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.59

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
SCHEMBL22700873 0.92 PTGDR2 (0.54) PTGDR2
SCHEMBL1785485 0.91 PTGDR2 (0.59) PTGDR2
SCHEMBL21032404 0.87 PTGDR2 (0.63) PTGDR2
SCHEMBL21031917 0.86 PTGDR2 (0.48) PTGDR2
SCHEMBL21032516 0.85 PTGDR2 (0.59) PTGDR2
SCHEMBL21032899 0.85 PTGDR2 (0.44) PTGDR2
SCHEMBL24179989 0.84 PTGDR2 (0.70) PTGDR2
SCHEMBL21032195 0.83 PTGDR2 (0.67) PTGDR2
SCHEMBL21031856 0.81 PTGDR2 (0.73) PTGDR2
SCHEMBL21186600 0.81 PTGDR2 (0.58) PTGDR2

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-3741754-A1 CRYSTAL FORM OF INDOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-11-25 EP disclosed