SCHEMBL10079025

SCHEMBL10079025

CC1CN1CCC(=O)OCCCCCCOC(=O)CCN1CC1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.51
THRA P10827 1/20 0.51
SLC29A1 Q99808 1/20 0.45
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
HTR2C P28335 1/20 0.40
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL16597545 0.98 THRB (0.49) THRBTHRASLC29A1NAAADGKA
SCHEMBL13327007 0.92 THRB (0.45) THRBTHRASLC29A1NAAAHTR2C
SCHEMBL33174 0.92 THRB (0.58) THRBTHRANAAADGKAHTR2C
SCHEMBL33242 0.91 THRB (0.45) THRBTHRASLC29A1NAAADGKA
SCHEMBL672310 0.91 THRB (0.44) THRBTHRASLC29A1DGKAMAPT
SCHEMBL28146 0.90 THRB (0.56) THRBTHRANAAADGKAHTR2C
SCHEMBL31530004 0.89 THRB (0.43) THRBTHRASLC29A1NAAAHTR2C
SCHEMBL13380195 0.87 THRB (0.43) THRBTHRASLC29A1
SCHEMBL13327014 0.86 THRB (0.42) THRBTHRASLC29A1DGKAMAPT
SCHEMBL673561 0.86 THRB (0.48) THRBTHRASLC29A1DGKAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588535-B1 AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2020-09-30 EP disclosed
EP-2588514-B1 GRAFTED COMPOUNDS FORMED FROM AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2015-03-18 EP disclosed
US-8796390-B2 Grafted compounds formed from aziridinyl-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-05 US disclosed
US-8796390-B2 Grafted compounds formed from aziridinyl-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-05 US disclosed
US-8779068-B2 Aziridinyl-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-8779068-B2 Aziridinyl-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-20130102731-A1 GRAFTED COMPOUNDS FORMED FROM AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-25 US disclosed
US-20130102731-A1 GRAFTED COMPOUNDS FORMED FROM AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-25 US disclosed
US-20130090434-A1 AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-11 US disclosed
US-20130090434-A1 AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-11 US disclosed
WO-2012005814-A1 GRAFTED COMPOUNDS FORMED FROM AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-12 WO disclosed
WO-2012005932-A2 AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-12 WO disclosed