SCHEMBL9027890

SCHEMBL9027890

CCCCCCCCCCCCSCC(NC(=O)CCCCCCCCCC)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NOD1 Q9Y239 7/20 0.52
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
DEGS1 O15121 1/20 0.44
ASAH1 Q13510 1/20 0.44
DNM1 Q05193 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LPAR3 Q9UBY5 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14160636 0.85 KMT2A (0.55) KMT2ANOD1POLBMEN1FAAH
SCHEMBL7620286 0.84 CYP1A2 (0.44) KMT2ANOD1POLBL3MBTL1CYP2C9
SCHEMBL11092334 0.84 NOD1 (0.66) KMT2ANOD1POLBMEN1FAAH
SCHEMBL11094036 0.84 NOD1 (0.66) KMT2ANOD1POLBMEN1FAAH
SCHEMBL11092330 0.84 NOD1 (0.66) KMT2ANOD1POLBMEN1FAAH
SCHEMBL11088269 0.84 NOD1 (0.66) KMT2ANOD1POLBMEN1FAAH
SCHEMBL24411036 0.81 KMT2A (0.63) KMT2ANOD1POLBMEN1FAAH
SCHEMBL24095932 0.80 KMT2A (0.58) KMT2ANOD1POLBMEN1FAAH
SCHEMBL7614123 0.78 CYP1A2 (0.40) KMT2ANOD1POLBL3MBTL1CYP2C9
SCHEMBL23834071 0.78 KMT2A (0.60) KMT2ANOD1POLBMEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416401-B1 Use of derivatives of phospholipides as antiviral pharmaceuticals and phospholipides BOEHRINGER MANNHEIM GMBH (DE) 1996-10-30 EP disclosed
US-5158942-A PROCESS OF USING PHOSPHOLIPID DERIVATIVES TO INHIBIT MULTIPLICATION OF THE HUMAN IMMUNODEFICIENCY VIRUS BOEHRINGER MANNHEIM GMBH (DE) 1992-10-27 US disclosed
EP-0416401-A2 Use of derivatives of phospholipides as antiviral pharmaceuticals and phospholipides Roche Diagnostics GmbH (DE) 1991-03-13 EP disclosed