SCHEMBL3101768

SCHEMBL3101768

Cc1oncc1CC(O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM6B O15054 1/20 0.34
GRIA1 P42261 3/20 0.33
GRIA3 P42263 3/20 0.33
LMNA P02545 2/20 0.32
CSF1R P07333 1/20 0.32
ITK Q08881 2/20 0.31
INSR P06213 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
GRIA2 P42262 2/20 0.30
GRIA4 P48058 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
OR51E2 Q9H255 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
GMNN O75496 1/20 0.30

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
SCHEMBL10279027 0.71
SCHEMBL20501825 0.66 CSF1R (0.37) SMN1; SMN2LMNACSF1RALDH1A1HSD17B10
SCHEMBL10170668 0.66 PPARG (0.51) PTPRASMN1; SMN2KDM6BLMNAALDH1A1
SCHEMBL10170669 0.66 PPARG (0.51) PTPRASMN1; SMN2KDM6BLMNAALDH1A1
SCHEMBL1826830 0.66 PPARG (0.51) PTPRASMN1; SMN2KDM6BLMNAALDH1A1
SCHEMBL5598116 0.66 CSF1R (0.35) SMN1; SMN2LMNACSF1RALDH1A1HSD17B10
SCHEMBL1206992 0.65
SCHEMBL282246 0.65
SCHEMBL9162758 0.64 KDM6B (0.52) PTPRAKDM6BHSD17B10OR51E2CYP2C9
SCHEMBL22188458 0.64 LMNA (0.39) SMN1; SMN2GRIA1GRIA3LMNACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130323753-A1 METHODS AND KITS FOR IDENTIFICATION OF ANTI-EXCITOTOXIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-12-05 US disclosed
US-20100248986-A1 METHODS AND KITS FOR IDENTIFICATION OF ANTI-EXCITOTOXIC COMPOUNDS FIRESTEIN-MILLER BONNIE L 2010-09-30 US disclosed
WO-2009033055-A1 METHODS AND KITS FOR IDENTIFICATION OF ANTI-EXCITOTOXIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-03-12 WO disclosed
US-6506928-B1 Derivative in which fullerene is linked to at least one dendron having at least one protic group which imparts water solubility SIEMENS AXIVA GMBH & CO. KG (DE) 2003-01-14 US disclosed