SCHEMBL5885449

SCHEMBL5885449

C=COC(=O)CC(=Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 1/20 0.36
AKR1C3 P42330 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
AKR1C1 Q04828 1/20 0.33
GAA P10253 1/20 0.33
MME P08473 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8469330 0.99 MEN1 (0.36) MEN1KMT2ARECQLAKR1C3CYP3A4
Vinyl Chloride SCHEMBL11162745 0.96 RECQL (0.34) MEN1KMT2ARECQLAKR1C3CYP3A4
SCHEMBL28675711 0.79 RECQL (0.51) MEN1KMT2ARECQLAKR1C3CYP3A4
SCHEMBL5478004 0.77 AKR1C3 (0.41) MEN1KMT2ARECQLAKR1C3CYP3A4
SCHEMBL28322507 0.73 THRB (0.44) MEN1KMT2ARECQLAKR1C3CYP3A4
SCHEMBL6543446 0.71 CMA1 (0.44) MEN1KMT2ARECQLAKR1C3ALDH1A1
SCHEMBL913491 0.71 MEN1 (0.44) MEN1KMT2ARECQLAKR1C3ALDH1A1
SCHEMBL11015943 0.71 CYP3A4 (0.42) MEN1KMT2ARECQLAKR1C3CYP3A4
SCHEMBL28878662 0.70 TSHR (0.41) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL7178451 0.69 FBP1 (0.38) MEN1KMT2ARECQLAKR1C3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6986979-B2 Microcapsule composition EASTMAN KODAK COMPANY (US) 2006-01-17 US disclosed
US-20050164116-A1 Microcapsule composition EASTMAN KODAK COMPANY 2005-07-28 US disclosed