SCHEMBL126802

SCHEMBL126802

COc1ccc(N(c2ccc(CP(=O)(O)O)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
ANPEP P15144 2/20 0.46
ERAP2 Q6P179 2/20 0.46
ACP3 P15309 1/20 0.42
PGK1 P00558 3/20 0.42
PGK2 P07205 3/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL914654 0.89 ANPEP (0.53) ENPP2ANPEPERAP2ACP3PGK1
Butane SCHEMBL3373014 0.88 ENPP2 (0.54) ENPP2ANPEPERAP2ACP3PGK1
SCHEMBL32679947 0.84 ANPEP (0.48) ANPEPERAP2MMP2MMP9
SCHEMBL16353250 0.81 PGK1 (0.50) ENPP2PGK1PGK2HTT
SCHEMBL16353269 0.79 PGK1 (0.49) ENPP2ANPEPPGK1PGK2
SCHEMBL11123144 0.78 ANPEP (0.49) ANPEPERAP2ACP3HDAC6HTT
SCHEMBL9687342 0.78 IDO1 (0.52) HTTLDHA
SCHEMBL31609274 0.77 ACP3 (0.42) ENPP2ACP3MMP2HDAC6
SCHEMBL27706560 0.77 ACP3 (0.48) ENPP2ANPEPERAP2ACP3PGK1
SCHEMBL10062238 0.77 IDO1 (0.47) HTTLDHA

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-2360758-B1 LITHIUM RECHARGEABLE ELECTROCHEMICAL CELL DOW GLOBAL TECHNOLOGIES LLC (US) 2014-02-26 EP disclosed
EP-2084774-B1 NANOTUBE WIRING DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-07 EP disclosed
US-8097361-B2 Nanotube wiring DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-17 US disclosed
EP-2360758-A2 Lithium rechargeable electrochemical cell Dow Global Technologies LLC (US) 2011-08-24 EP disclosed
US-20100068621-A1 NANOTUBE WIRING DOW GLOBAL TECHNOLOGIES LLC 2010-03-18 US disclosed
EP-2084774-A2 NANOTUBE WIRING High Power Lithium S.A. (CH) 2009-08-05 EP disclosed
US-20090176162-A1 LITHIUM RECHARGEABLE ELECTROCHEMICAL CELL DOW GLOBAL TECHNOLOGIES LLC 2009-07-09 US disclosed
EP-2008336-A2 LITHIUM RECHARGEABLE ELECTROCHEMICAL CELL High Power Lithium S.A. (CH) 2008-12-31 EP disclosed
WO-2008047324-A2 NANOTUBE WIRING HIGH POWER LITHIUM S.A. (CH) 2008-04-24 WO disclosed
WO-2007116363-A2 LITHIUM RECHARGEABLE ELECTROCHEMICAL CELL HIGH POWER LITHIUM S.A. (CH) 2007-10-18 WO disclosed