SCHEMBL516351

SCHEMBL516351

CCC=C(NC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 2/20 0.37
TRPA1 O75762 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL28058495 0.83 ALDH1A1 (0.32) ALDH1A1EGLN1
SCHEMBL10656434 0.83 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6729528 0.83 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL29094309 0.82 NPSR1 (0.37) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL29094307 0.82 ACHE (0.37) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL23607713 0.81 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL22620309 0.81 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL29176089 0.81 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL18723091 0.79 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
Dimethylamine SCHEMBL447225 0.79 GLO1 (0.45) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US claimed
EP-2847249-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES Medipacs, Inc. (US) 2015-03-18 EP claimed
WO-2013138524-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. (US) 2013-09-19 WO claimed
US-10000605-B2 Smart polymer materials with excess reactive molecules MEDIPACS, INC. (US) 2018-06-19 US disclosed
US-20170069824-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS MEDIPACS INC (US) 2017-03-09 US disclosed
US-9500186-B2 High surface area polymer actuator with gas mitigating components MEDIPACS, INC. (US) 2016-11-22 US disclosed
US-20160206817-A1 LOW PROFILE ACTUATOR AND IMPROVED METHOD OF CAREGIVER CONTROLLED ADMINISTRATION OF THERAPEUTICS MEDIPACS INC (US) 2016-07-21 US disclosed
US-9238102-B2 Low profile actuator and improved method of caregiver controlled administration of therapeutics MEDIPACS, INC. (US) 2016-01-19 US disclosed
US-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US disclosed
EP-2847249-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES Medipacs, Inc. (US) 2015-03-18 EP disclosed
US-20140221913-A1 LOW PROFILE INFUSION PUMP WITH ANTI DRUG DIVERSION AND ACTIVE FEEDBACK MECHANISMS MEDIPACS, INC. (US) 2014-08-07 US disclosed
EP-2760497-A1 LOW PROFILE INFUSION PUMP WITH ANTI DRUG DIVERSION AND ACTIVE FEEDBACK MECHANISMS Medipacs, Inc. (US) 2014-08-06 EP disclosed
WO-2013138524-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. (US) 2013-09-19 WO disclosed
WO-2013049070-A1 LOW PROFILE INFUSION PUMP WITH ANTI DRUG DIVERSION AND ACTIVE FEEDBACK MECHANISMS MEDIPACS, INC. (US) 2013-04-04 WO disclosed
EP-2531549-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS Medipacs, Inc. (US) 2012-12-12 EP disclosed
US-20120191060-A1 LOW PROFILE ACTUATOR AND IMPROVED METHOD OF CAREGIVER CONTROLLED ADMINISTRATION OF THERAPEUTICS MEDIPACS, INC. 2012-07-26 US disclosed
US-20120029430-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS MEDIPACS, INC. 2012-02-02 US disclosed
WO-2011094747-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS MEDIPACS, INC. (US) 2011-08-04 WO disclosed
WO-2011032011-A1 LOW PROFILE ACTUATOR AND IMPROVED METHOD OF CAREGIVER CONTROLLED ADMINISTRATION OF THERAPEUTICS MEDIPACS, INC. (US) 2011-03-17 WO disclosed