SCHEMBL14744372

SCHEMBL14744372

O=S(=O)(Oc1ccc(Cl)cc1OC(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 9/20 0.44
CNR2 P34972 2/20 0.42
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
EPAS1 Q99814 2/20 0.41
TNNI3K Q59H18 2/20 0.37
ACLY P53396 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL1411551 0.81 PTGS1 (0.46) EPAS1
SCHEMBL8500197 0.81 EPAS1 (0.40) CNR2EPAS1TRPV4PDE4APDE4C
SCHEMBL18482393 0.81 ALPL (0.44) ALPL
SCHEMBL8359389 0.80 EPAS1 (0.46) EPAS1PDE4APDE4CPDE4D
SCHEMBL31204476 0.79 TSHR (0.46) EPAS1PDE4APDE4CPDE4D
SCHEMBL2004462 0.78 ALDH1A1 (0.41)
SCHEMBL28994364 0.78 PTGS1 (0.50) EPAS1
SCHEMBL16396491 0.78 RXRA (0.43) ALPL
SCHEMBL10692079 0.77 ALPL (0.49) ALPLCNR2EPAS1ACLYTRPV4
SCHEMBL14995469 0.76 KDM4E (0.46) EPAS1TRPV4

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed