SCHEMBL5371437

SCHEMBL5371437

C[N+](C)(C)CCOP(=O)([O-])OCC(COCCCCCCCCCCOCCCCc1ccc2ccc3cccc4ccc1c2c34)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.49
PTAFR P25105 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
AKT1 P31749 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44

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
SCHEMBL14356217 0.92 FABP3 (0.40) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL5384759 0.84 ALDH1A1 (0.43) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL29845243 0.81 NR5A2 (0.62) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL5379967 0.81 MEN1 (0.47) ALDH1A1SMN1; SMN2PRKCAMAPK1MEN1
SCHEMBL10702198 0.80 NR5A2 (0.68) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10802287 0.79 NR5A2 (0.59) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10625215 0.79 ADRA1D (0.64) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL5378324 0.78 MEN1 (0.43) MEN1KMT2A
SCHEMBL14356218 0.76 ITPR1 (0.39) ALDH1A1SMN1; SMN2PRKD3PRKCGPRKCB
SCHEMBL10799379 0.75 NR5A2 (0.47) RECQLALDH1A1SMN1; SMN2MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301043-B2 Compounds for determining the activity of phospholipase A2 SIRS-LAB GMBH (DE) 2007-11-27 US disclosed
US-20050064532-A1 Platelet-Activating Factor Acetylhydrolase; for diagnosis of various conditions; eg 1-O-{(10-[4-(pyrene-1-yl)-butoxy]-decyl}-2-(6-(2,4-dinitrophenyl)-aminohexoyl)-rac-glycero-3-phosphocholine SIRS-LAB GMBH (DE) 2005-03-24 US disclosed
EP-1318154-B1 Compounds for determination of the activity of phospholipase A2 SIRS LAB GMBH (DE) 2004-06-16 EP disclosed
WO-2003048172-A1 COMPOUNDS FOR DETERMINING THE ACTIVITY OF PHOSPHOLIPASE A¿2? SIRS-LAB GMBH (DE) 2003-06-12 WO disclosed
EP-1318154-A1 Compounds for determination of the activity of phospholipase A2 SIRS-Lab GmbH (DE) 2003-06-11 EP disclosed