SCHEMBL4638008

SCHEMBL4638008

CCS(=O)(=O)c1ccc(Oc2c[c]cc(O)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.41
EPAS1 Q99814 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL4639087 0.88 EPAS1 (0.44) PTGDR2EPAS1SMN1; SMN2ALDH1A1MCL1
SCHEMBL4637496 0.86 PTGDR2 (0.40) PTGDR2EPAS1SMN1; SMN2ALDH1A1POLB
SCHEMBL4637399 0.85 EPAS1 (0.47) PTGDR2EPAS1ALDH1A1HTR2ASLC6A4
SCHEMBL1651360 0.82 EPAS1 (0.49) PTGDR2EPAS1ALDH1A1MCL1
SCHEMBL4637476 0.82 SCN9A (0.42) PTGDR2SMN1; SMN2
SCHEMBL4637618 0.80 KDM4E (0.40) PTGDR2ALDH1A1
SCHEMBL4674539 0.76 PTGDR2 (0.48) PTGDR2ALDH1A1
SCHEMBL4637590 0.76 PTGDR2 (0.46) PTGDR2EPAS1BRD4
SCHEMBL4194515 0.75 PTGDR2 (0.45) PTGDR2EPAS1ALDH1A1POLBMCL1
SCHEMBL4637479 0.75 PTGDR2 (0.41) PTGDR2EPAS1SMN1; SMN2ALDH1A1POLB

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed