SCHEMBL6844897

SCHEMBL6844897

CCN(CC)CCOc1ccccc1S(=O)(=O)Cc1ccc(C2C=COC2)c(OC)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD3 P35462 1/20 0.34
MCHR1 Q99705 5/20 0.34
MAOB P27338 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL6844870 0.93 EGFR (0.38) METAP2ALDH1A1KDM4ELMNADRD2
SCHEMBL6844867 0.82 TSHR (0.32) METAP2
SCHEMBL1648737 0.78 METAP2 (0.46) METAP2ALDH1A1KDM4ELMNADRD2
SCHEMBL6844851 0.75 ALDH1A1 (0.32) METAP2ALDH1A1MAOB
SCHEMBL6844872 0.74 CA1 (0.36) ALDH1A1
SCHEMBL6844864 0.72 QRFPR (0.36)
SCHEMBL1648420 0.71 METAP2 (0.42) METAP2ALDH1A1KDM4ELMNADRD2
SCHEMBL6844927 0.67 TARBP2 (0.32) ALDH1A1
SCHEMBL6844858 0.66 TSHR (0.34) ALDH1A1LMNA
SCHEMBL6844919 0.65 POLB (0.34) ALDH1A1LMNABCHE

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-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed