SCHEMBL4637581

SCHEMBL4637581

O=S(=O)(Cc1ccccc1)c1ccc(Oc2c[c]cc(Cl)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.41
EPAS1 Q99814 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL4726020 0.88 PTGDR2 (0.41) SCN9AEPAS1PTGDR2TSHRHSD17B10
SCHEMBL4637590 0.84 PTGDR2 (0.46) EPAS1PTGDR2
SCHEMBL4637470 0.83 SCN9A (0.39) SCN9AEPAS1CYP1A2
SCHEMBL2065216 0.81 PTGDR2 (0.49) EPAS1PTGDR2
SCHEMBL4637444 0.79 EPAS1 (0.53) EPAS1PTGDR2
SCHEMBL1650552 0.74 EPAS1 (0.37) SCN9AEPAS1PTGDR2
SCHEMBL4205946 0.74 TSHR (0.53) TSHRHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL883829 0.74 PTGDR2 (0.51) SCN9AEPAS1PTGDR2
SCHEMBL10121181 0.73 PTGDR2 (0.46) EPAS1PTGDR2
SCHEMBL885402 0.73 PTGDR2 (0.44) EPAS1PTGDR2PPARGPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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