SCHEMBL5566879

SCHEMBL5566879

Cc1ccc(S(=O)(=O)ON2C(=O)CCC2=O)cc1.Cc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.85
KDM4E B2RXH2 10/20 0.68
ALDH1A1 P00352 10/20 0.68
HPGD P15428 7/20 0.68
MAPT P10636 9/20 0.67
KMT2A Q03164 9/20 0.67
MEN1 O00255 6/20 0.66
PARL Q9H300 2/20 0.64
F2 P00734 4/20 0.63
HTT P42858 3/20 0.58
XBP1 P17861 2/20 0.58
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
THRB P10828 1/20 0.50
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL29370293 0.92 VDR (1.00) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL64277 0.92 VDR (1.00) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL64214 0.89 PARL (0.68) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL22251878 0.83 VDR (0.61) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL462047 0.81 ALDH1A1 (1.00) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL64368 0.81 KDM4E (1.00) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL12339094 0.80 PARL (0.81) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL5556208 0.80 VDR (0.77) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL14099607 0.80 VDR (0.76) VDRKDM4EALDH1A1HPGDMAPT
SCHEMBL2468373 0.80 KMT2A (1.00) VDRKDM4EALDH1A1HPGDMAPT

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
US-7244544-B2 Oxime derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-17 US disclosed