SCHEMBL2458002

SCHEMBL2458002

C=C(C(=O)O)C(O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TET2 Q6N021 3/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
SLC7A5 Q01650 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL419091 0.83 TP53 (0.38) TP53TSHRLMNAMAPTSMN1; SMN2
SCHEMBL28117290 0.79 TP53 (0.35) TP53TSHRLMNAMAPTSMN1; SMN2
SCHEMBL16662 0.77
SCHEMBL7116467 0.77
SCHEMBL31173032 0.77
Ethylene SCHEMBL7184474 0.74 TP53 (0.47) TP53LMNAMAPTSMN1; SMN2XBP1
SCHEMBL11124159 0.74 TP53 (0.41) TP53TSHRLMNAMAPTSMN1; SMN2
SCHEMBL2915534 0.73 LMNA (0.46) TP53LMNAMAPTSMN1; SMN2XBP1
SCHEMBL23313 0.73
SCHEMBL7750671 0.72 TP53 (0.45) TP53LMNAMAPTSMN1; SMN2XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476824-B2 Active matrix organic electroluminescent device and method of manufacture thereof UNIVERSITY OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA (CN) 2013-07-02 US disclosed
US-8278820-B2 Active matrix organic electroluminescent device and method of manufacture thereof University of Electric Sience and Technology of China (CN) 2012-10-02 US disclosed
US-20120164762-A1 Active matrix organic electroluminescent device and method of manufacture thereof UNIVERSITY OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA 2012-06-28 US disclosed
EP-1311572-B1 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES CO (US) 2011-12-21 EP disclosed
US-20110221331-A1 Active matrix organic electroluminescent device and method of manufacture thereof UNIVERSITY OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA 2011-09-15 US disclosed
US-7459167-B1 Biocidal polyurethane compositions and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-02 US disclosed
EP-1935911-A1 Biocidal Polyurethane Compositions and Method of Use 3M Innovative Properties Company (US) 2008-06-25 EP disclosed
EP-1311572-A2 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M Innovative Properties Company (US) 2003-05-21 EP disclosed
WO-2002010244-A2 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-02-07 WO disclosed