SCHEMBL1790701

SCHEMBL1790701

C=CCO[C@H](COCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.71
LMNA P02545 2/20 0.71
ALDH1A1 P00352 2/20 0.71
PRKD3 O94806 1/20 0.71
PRKCG P05129 1/20 0.71
PRKCB P05771 1/20 0.71
PRKCA P17252 1/20 0.71
PRKCH P24723 1/20 0.71
PRKCI P41743 1/20 0.71
PRKCE Q02156 1/20 0.71
PRKCQ Q04759 1/20 0.71
PRKCZ Q05513 1/20 0.71
PRKCD Q05655 1/20 0.71
PRKD1 Q15139 1/20 0.71
MAPK1 P28482 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
MEN1 O00255 1/20 0.71
GMNN O75496 1/20 0.71
BLM P54132 1/20 0.71
KMT2A Q03164 1/20 0.71

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
SCHEMBL4371353 0.91 LMNA (0.64) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL10645725 0.91 LMNA (0.64) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL2525610 0.91 LMNA (0.64) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL8874191 0.89 MAPK1 (0.54) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL30928 0.88 AKT1 (0.81) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL10755721 0.88 AKT1 (0.81) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL2237831 0.88 ALDH1A1 (0.70) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL2231020 0.88 ALDH1A1 (0.70) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL93895 0.88 ALDH1A1 (0.70) AKT1LMNAALDH1A1PRKD3PRKCG
SCHEMBL93768 0.88 ALDH1A1 (0.70) AKT1LMNAALDH1A1PRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221453-B2 Advanced detection of sepsis BECTON, DICKINSON AND COMPANY (US) 2019-03-05 US disclosed
US-20180305758-A1 ADVANCED DETECTION OF SEPSIS BECTON DICKINSON CO (US) 2018-10-25 US disclosed
US-9885084-B2 Advanced detection of sepsis BECTON, DICKINSON AND COMPANY (US) 2018-02-06 US disclosed
US-20180002752-A1 ADVANCED DETECTION OF SEPSIS BECTON DICKINSON CO (US) 2018-01-04 US disclosed
US-9708661-B2 Advanced detection of sepsis BECTON, DICKINSON AND COMPANY (US) 2017-07-18 US disclosed
US-20160040233-A1 ADVANCED DETECTION OF SEPSIS BECTON DICKINSON CO (US) 2016-02-11 US disclosed
US-9091698-B2 Advanced detection of sepsis BECTON, DICKINSON AND COMPANY (US) 2015-07-28 US disclosed
US-20140302533-A1 ADVANCED DETECTION OF SEPSIS BECTON, DICKINSON AND COMPANY (US) 2014-10-09 US disclosed
US-8669113-B2 Advanced detection of sepsis BECTON, DICKINSON AND COMPANY (US) 2014-03-11 US disclosed
US-20120301910-A1 DETECTION OF LYSOPHOSPHATIDYLCHOLINE FOR PROGNOSIS OR DIAGNOSIS OF A SYSTEMIC INFLAMMATORY CONDITION BECTON, DICKINSON AND COMPANY (US) 2012-11-29 US disclosed
US-8183050-B2 Detection of lysophosphatidylcholine for prognosis or diagnosis of a systemic inflammatory condition BECTON, DICKINSON AND COMPANY (US) 2012-05-22 US disclosed
US-20110118569-A1 Advanced Detection of Sepsis BECTON, DICKINSON AND COMPANY 2011-05-19 US disclosed
EP-1940231-B1 DETECTION OF LYSOPHOSPHATIDYLCHOLINE FOR PROGNOSIS OR DIAGNOSIS OF A SYSTEMIC INFLAMMATORY CONDITION BECTON DICKINSON CO (US) 2011-05-04 EP disclosed
US-20070111316-A1 Detection of lysophosphatidylcholine for prognosis or diagnosis of a systemic inflammatory condition BECTON, DICKINSON AND COMPANY 2007-05-17 US disclosed