SCHEMBL4448528

SCHEMBL4448528

CCCCOC(=O)C(OS(=O)(=O)c1ccc(C)cc1)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
ENPP2 Q13822 2/20 0.34
FKBP1A P62942 4/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3389815 0.77 HTR6 (0.37) ALDH1A1ENPP3ENPP1ENPP2POLB
SCHEMBL7513515 0.76 MMP13 (0.40) ALDH1A1ENPP3ENPP1ENPP2POLB
SCHEMBL3386788 0.76 HTR6 (0.39) ALDH1A1ENPP3ENPP1ENPP2POLB
SCHEMBL8781625 0.75 ALDH1A1 (0.33) ALDH1A1MAPTNPSR1
SCHEMBL28453248 0.73 ALDH1A1 (0.41) ALDH1A1ENPP1PLA2G2CLMNAMAPK1
SCHEMBL28453243 0.73 ALDH1A1 (0.41) ALDH1A1ENPP1PLA2G2CLMNAMAPK1
SCHEMBL3126095 0.72 TSHR (0.35) ALDH1A1ENPP3ENPP1ENPP2POLB
SCHEMBL6155399 0.71 PLA2G2C (0.41) ALDH1A1ENPP1MAPTPLA2G2CLMNA
SCHEMBL3388492 0.71 CA12 (0.40) ALDH1A1FKBP1AL3MBTL1
SCHEMBL7067264 0.71 PLA2G2C (0.39) ALDH1A1ENPP1PLA2G2CLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635871-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2007-07-18 EP disclosed
EP-1635871-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed