SCHEMBL5569554

SCHEMBL5569554

Cc1ccc(O)c(I)n1.Cc1ccc(OCC(=O)O)c(I)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
KDM4E B2RXH2 7/20 0.43
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
GLA P06280 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5532109 0.93 S1PR4 (0.49) S1PR4PTGDR2KDM4EPKMHTT
SCHEMBL7018653 0.79 S1PR4 (0.52) S1PR4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL5569556 0.78 S1PR4 (0.47) S1PR4KDM4EHTTTDP1GAA
SCHEMBL16742593 0.77 KDM4E (0.51) S1PR4PTGDR2KDM4EPKMHTT
SCHEMBL5533491 0.77 ALDH1A1 (0.47) S1PR4KDM4EPKMTDP1GAA
SCHEMBL218258 0.76
SCHEMBL16742921 0.74 KDM4E (0.66) S1PR4PTGDR2KDM4EPKMHTT
SCHEMBL3710075 0.74 PTGDR2 (0.49) S1PR4PTGDR2KDM4EPKMHTT
SCHEMBL3781153 0.73 KDM4E (0.53) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL1367786 0.71 PTGDR2 (0.45) PTGDR2KDM4EPKMHTTTDP1

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-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed