SCHEMBL5396109

SCHEMBL5396109

BrCCCCCCCCCCOCCCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GBA1 P04062 2/20 0.42
UGCG Q16739 2/20 0.42
GBA2 Q9HCG7 2/20 0.42
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ITPR1 Q14643 1/20 0.35
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 3/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 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
SCHEMBL4157974 0.91 KMT2A (0.59) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL22651496 0.91 KMT2A (0.59) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL26625904 0.89 KMT2A (0.61) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL4237236 0.87 GBA2 (0.54) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL9814999 0.87 GBA2 (0.54) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL4239401 0.87 GBA2 (0.54) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL19627280 0.86 KMT2A (0.51) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL28156338 0.85 KMT2A (0.63) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL28983215 0.83 KMT2A (0.59) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL6412633 0.83 KMT2A (0.69) MEN1KMT2AGBA1UGCGGBA2

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