SCHEMBL534178

SCHEMBL534178

CCc1c(Cc2ccc(S(C)(=O)=O)cc2)c(C)nc2c(F)cc(OCC(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.43
THRB P10828 3/20 0.43
THRA P10827 2/20 0.43
FFAR1 O14842 3/20 0.36
PPARD Q03181 3/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
CHRM4 P08173 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL534778 0.81 PTGDR2 (0.48) PTGDR2FFAR1PPARDCHRM4
SCHEMBL534205 0.72 PTGDR2 (0.38) PTGDR2PTGS2CHRM4ALDH1A1
SCHEMBL534036 0.72 CHRM4 (0.38) PTGDR2PTGS1PTGS2CHRM4
SCHEMBL534013 0.71 PTGDR2 (0.53) PTGDR2
SCHEMBL534931 0.70 CHRM4 (0.38) PTGDR2PTGS1PTGS2CHRM4
SCHEMBL3778628 0.69 PTGDR2 (0.44) PTGDR2
SCHEMBL3777201 0.67 PTGDR2 (0.46) PTGDR2
SCHEMBL3773874 0.66 PTGDR2 (0.70) PTGDR2
SCHEMBL7363412 0.66 ALDH1A1 (0.73) PTGDR2FFAR1ALDH1A1
SCHEMBL3778526 0.66 PTGDR2 (0.48) 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-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP claimed