SCHEMBL5406500

SCHEMBL5406500

O=C(NC(=O)N1CCCC1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
HTT P42858 2/20 0.50
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL23152448 0.86 GAA (0.52) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL756289 0.84 SMN1; SMN2 (0.50) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL2968082 0.82 SMN1; SMN2 (0.53) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL9184806 0.82 GAA (0.48) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL17186605 0.82 GAA (0.44) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL1882976 0.82 GAA (0.48) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL23152464 0.80 GAA (0.47) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL28492500 0.80 F2 (0.46) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL6324391 0.80 GAA (0.43) GAAHTTALDH1A1POLBSMN1; SMN2
SCHEMBL23011371 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250492-B2 Compositions and methods for inhibition of cancer invasion and angiogenesis THE RESEARCH FOUNDATION AT STATE UNIVERSITY OF NEW YORK (US) 2007-07-31 US disclosed
US-20070060528-A1 ADMINISTRATION OF DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
US-20040115202-A1 Compositions and methods for inhibition of cancer invasion and angiogenesis THE RESEARCH FOUNDATION AT STATE UNIVERSITY OF NEW YORK 2004-06-17 US disclosed
EP-1408908-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF CANCER INVASION AND ANGIOGENESIS The Research Foundation of the State University of New York (US) 2004-04-21 EP disclosed
US-6573096-B1 Compositions and methods for inhibition of cancer invasion and angiogenesis THE RESEARCH FOUNDATION AT STATE UNIVERSITY OF NEW YORK 2003-06-03 US disclosed
US-20020132979-A1 Compositions and methods for inhibition of cancer invasion and angiogenesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US disclosed
WO-2001074299-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF CANCER INVASION AND ANGIOGENESIS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-11 WO disclosed