SCHEMBL5384418

SCHEMBL5384418

OC(COCCCCCCCCCCOCCCCc1ccc2ccc3cccc4ccc1c2c34)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
CTSK P43235 3/20 0.34
TK1 P04183 1/20 0.31
ITPR1 Q14643 1/20 0.30

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
SCHEMBL10769223 0.99 KMT2A (0.44) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL6047160 0.91 MEN1 (0.39) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL5378324 0.83 MEN1 (0.43) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL5376000 0.82 MEN1 (0.48) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL8663631 0.82 PLA2G2A (0.43) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL14356212 0.82 MEN1 (0.37) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL2048837 0.77 CTSK (0.36) MEN1KMT2ACTSK
SCHEMBL25289434 0.74 USP2 (0.50) CTSKTK1
SCHEMBL2311830 0.74 USP2 (0.50) CTSKTK1
SCHEMBL25289433 0.74 USP2 (0.50) CTSKTK1

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