SCHEMBL21028286

SCHEMBL21028286

C[S+]([O-])c1ccc(Cc2c3n(c4ccccc24)C(C(=O)O)CCC3)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.39
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
FABP4 P15090 2/20 0.33
FABP3 P05413 1/20 0.33
RORC P51449 2/20 0.32
KMT2A Q03164 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
POLQ O75417 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21027858 0.86 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRFABP4
SCHEMBL21028287 0.85 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRRORC
SCHEMBL21028325 0.79 PTGDR2 (0.44) PTGDR2TBXA2RPTGDR
SCHEMBL21028002 0.75 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL21028005 0.72 PTGDR2 (0.38) PTGDR2TBXA2RPTGDRRORC
SCHEMBL21028080 0.71 FFAR1 (0.39) PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL21027975 0.71 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL21028015 0.67 ALDH1A1 (0.38) PTGDR2KMT2ACYP1A2
SCHEMBL21028077 0.67 MEN1 (0.41) KMT2ACYP1A2
SCHEMBL21027972 0.67 PTGDR2 (0.45) PTGDR2PTGDRKMT2A

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