SCHEMBL5379967

SCHEMBL5379967

O=C(OC(CO)COCCCCCCCCCCOCCCCc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PPARG P37231 1/20 0.37
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
ADRB2 P07550 2/20 0.33
ITPR1 Q14643 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5378324 0.87 MEN1 (0.43) MEN1KMT2APPARGGBA1UGCG
SCHEMBL14356214 0.85 KMT2A (0.41) MEN1KMT2APPARGCNR2CNR1
SCHEMBL14356217 0.82 FABP3 (0.40) MEN1KMT2AITPR1GMNNALDH1A1
SCHEMBL5371437 0.81 ADRA1D (0.49) MEN1KMT2AGMNNALDH1A1LMNA
SCHEMBL5376000 0.79 MEN1 (0.48) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL8664322 0.79 CNR2 (0.48) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL24339516 0.76 MEN1 (0.57) MEN1KMT2ACNR2TDP1ALDH1A1
SCHEMBL10596469 0.76 MEN1 (0.57) MEN1KMT2ACNR2TDP1ALDH1A1
SCHEMBL14356213 0.74 KMT2A (0.37) MEN1KMT2AKDM4ELMNA
SCHEMBL5384759 0.73 ALDH1A1 (0.43) MEN1KMT2AGMNNALDH1A1LMNA

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