SCHEMBL14819948

SCHEMBL14819948

Nc1ccc(Oc2ccc(CC(=O)O)cc2Cl)c(N=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
PPARD Q03181 2/20 0.44
CHRM1 P11229 1/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.40
PTGDR Q13258 6/20 0.39
FFAR1 O14842 1/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CXCL8 P10145 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CAMK2A Q9UQM7 1/20 0.36

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
SCHEMBL12627990 0.86 GAA (0.52) CA2PTGDR2GAAALDH1A1TDP1
SCHEMBL12628082 0.85 GAA (0.42) PTGDR2PTGDRFFAR1GAAALDH1A1
SCHEMBL13742641 0.80 FFAR1 (0.56) CA2PPARDCHRM1PTGDR2FFAR1
SCHEMBL2006729 0.78 PDE7A (0.47) CA2PPARDCHRM1PTGDR2PTGDR
SCHEMBL11290861 0.76 PTGDR2 (0.34) PTGDR2GAAALDH1A1TDP1TSHR
SCHEMBL12627991 0.73 CTSD (0.48) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL13742135 0.72 MAPT (0.42) ALDH1A1TSHRNFKB1POLBHPGD
SCHEMBL27895980 0.71 GAA (0.64) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL921998 0.70 GAA (0.68) CA2PPARDGAAALDH1A1TDP1
SCHEMBL13742690 0.69 L3MBTL1 (0.41) ALDH1A1TSHRNFKB1POLBHPGD

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-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed