SCHEMBL1650557

SCHEMBL1650557

CC(=O)Oc1cc(S)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
BACE1 P56817 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CES2 O00748 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1000256 0.87 KDM4E (0.49) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL17356485 0.81 CYP4F2 (0.56) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL16961636 0.81 LMNA (0.49) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL24436817 0.81 CYP3A4 (0.49) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL4762590 0.81 RXRA (0.48) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL16961633 0.79 KDM4E (0.43) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL16955997 0.79 CES2 (0.46) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL16957689 0.77 LMNA (0.45) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL16957692 0.77 CYP4F2 (0.64) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL4804364 0.76 RXRA (0.42) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed