SCHEMBL7654013

SCHEMBL7654013

CC(C)(C)C(C(=O)O)C(S)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
ABCB11 O95342 1/20 0.50
F2 P00734 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
PTGS1 P23219 1/20 0.37
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 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
SCHEMBL1604917 0.80 ALDH1A1 (0.39) ALDH1A1MAPTABCB11F2LMNA
SCHEMBL5514917 0.75 TP53 (0.42) ALDH1A1MAPTPTGS1RNPEPSLC7A5
SCHEMBL13542998 0.75 TP53 (0.42) ALDH1A1MAPTPTGS1RNPEPSLC7A5
SCHEMBL4839860 0.72 ALDH1A1 (0.35) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL589941 0.71
SCHEMBL4056553 0.71
SCHEMBL4058928 0.71
SCHEMBL25004681 0.70 TSHR (0.47) ALDH1A1MAPTCYP2C9PTGS1SLC7A5
SCHEMBL22355731 0.70 TP53 (0.38) ALDH1A1MAPTPTGS1SLC7A5TP53
Cadaverine Tartrate SCHEMBL30041704 0.70 TSHR (0.56) ALDH1A1MAPTKDM4ELMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1076056-A1 NOVEL SPIRO COMPOUNDS OR SALTS THEREOF AND PREVENTIVES/REMEDIES FOR AUTOIMMUNE DISEASES AND AP-1 INHIBITORS CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2001-02-14 EP disclosed
EP-0792170-A4 RADIONUCLIDE METAL CHELATES FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORP (US) 2000-03-15 EP disclosed
US-5783171-A Radionuclide metal N2 S2 chelates substituted with glucose and biotin moieties NEORX CORPORATION (US) 1998-07-21 US disclosed
EP-0792170-A1 RADIONUCLIDE METAL CHELATES FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1997-09-03 EP disclosed
EP-0431146-B1 RADIONUCLIDE METAL CHELATES FOR THE RADIOLABELING OF PROTEINS NEORX CORP (US) 1995-11-15 EP disclosed
WO-1995002418-A1 RADIONUCLIDE METAL CHELATES FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1995-01-26 WO disclosed
US-5250666-A Radionuclide metal chelates for the radiolabeling of proteins NEORX CORPORATION (US) 1993-10-05 US disclosed
US-5164176-A Radionuclide metal chelates for the radiolabeling of proteins NEORX CORPORATION (US) 1992-11-17 US disclosed
EP-0431146-A4 RADIONUCLIDE METAL CHELATES FOR THE RADIOLABELING OF PROTEINS 1992-11-04 EP disclosed
EP-0431146-A1 RADIONUCLIDE METAL CHELATES FOR THE RADIOLABELING OF PROTEINS. NEORX CORP (US) 1991-06-12 EP disclosed
WO-1990015808-A1 RADIONUCLIDE METAL CHELATES FOR THE RADIOLABELING OF PROTEINS NEORX CORPORATION (US) 1990-12-27 WO disclosed