SCHEMBL4583511

SCHEMBL4583511

C=CC(=O)NC(CCC(=O)O)NC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
BLM P54132 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
FOLH1 Q04609 5/20 0.41
RIMKLA Q8IXN7 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TET2 Q6N021 3/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37

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
SCHEMBL10686469 0.80 TSHR (0.50) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL9382037 0.80 FOLH1 (0.62) FOLH1RIMKLANAALAD2
SCHEMBL28362698 0.80 TSHR (0.52) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL5437088 0.80 FOLH1 (0.62) FOLH1RIMKLANAALAD2
SCHEMBL5437090 0.80 FOLH1 (0.62) FOLH1RIMKLANAALAD2
SCHEMBL15361783 0.79 FOLH1 (0.60) FOLH1RIMKLANAALAD2
SCHEMBL23390991 0.77 FOLH1 (0.44) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL3319891 0.77 TSHR (0.46) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL1869231 0.77 TSHR (0.52) TSHRSLC6A3NFKB1CYP2C19ALDH1A1
SCHEMBL15361781 0.76 FOLH1 (0.43) TSHRSLC6A2SLC6A4BLMSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107997-B1 POLYMER PRODUCTION QINETIQ LTD (GB) 2010-01-27 EP disclosed
EP-1900759-A2 Polymer production Qinetiq Limited (GB) 2008-03-19 EP disclosed
US-7026419-B2 Adhesives and sealants QINETIQ LIMITED (GB) 2006-04-11 US disclosed
US-20040127664-A1 Adhesives and sealants QINETIQ LIMITED (GB) 2004-07-01 US disclosed
US-6703467-B1 APPLYING CLAIMED UNSATURATED COMPOUND AND OPTIONAL POLYMERIZATION INITIATOR TO AT LEAST ONE SURFACE, ALLOWING TO POLYMERIZE IN CONTACT WITH SECOND SURFACE SUCH THAT SURFACES ARE ADHERED OR SEALED QINETIQ LIMITED (GB) 2004-03-09 US disclosed
US-6559261-B1 Polymer production QINETIQ LIMITED (GB) 2003-05-06 US disclosed
EP-1107997-A2 POLYMER PRODUCTION THE SECRETARY OF STATE FOR DEFENCE (GB) 2001-06-20 EP disclosed
EP-1100853-A2 ADHESIVES AND SEALANTS THE SECRETARY OF STATE FOR DEFENCE (GB) 2001-05-23 EP disclosed
WO-2000006610-A2 POLYMER PRODUCTION THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-02-10 WO disclosed
WO-2000006658-A2 ADHESIVES AND SEALANTS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-02-10 WO disclosed