SCHEMBL8522015

SCHEMBL8522015

CCCCCCCCCCCC(=O)OCCN(CCCN(C)CCCN(C)C)CCOC(=O)CCCCCCCCCCC

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.74
DGKA P23743 1/20 0.57
PAM P19021 2/20 0.45
KDM5A P29375 3/20 0.45
NAAA Q02083 1/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL5178165 1.00 DNM1 (0.74) DNM1DGKAPAMKDM5ANAAA
SCHEMBL8442490 0.97 DNM1 (0.79) DNM1DGKAPAMNAAAPRSS1
SCHEMBL7035299 0.97 DNM1 (0.79) DNM1DGKAPAMNAAAPRSS1
SCHEMBL5179416 0.97 DNM1 (0.79) DNM1DGKAPAMNAAAPRSS1
SCHEMBL5178920 0.97 DNM1 (0.79) DNM1DGKAPAMNAAAPRSS1
Hydrochloric Acid SCHEMBL7033153 0.95 DNM1 (0.77) DNM1DGKAPAMNAAAPRSS1
Hydrochloric Acid SCHEMBL8522653 0.95 DNM1 (0.77) DNM1DGKAPAMNAAAPRSS1
Hydrochloric Acid SCHEMBL7028069 0.95 DNM1 (0.77) DNM1DGKAPAMNAAAPRSS1
SCHEMBL5179271 0.91 DNM1 (0.65) DNM1DGKAPAMKDM5ANAAA
SCHEMBL5179892 0.91 DNM1 (0.65) DNM1DGKAPAMKDM5ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927174-A1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS MediGene Oncology GmbH (DE) 1999-07-07 EP disclosed
WO-1998011082-A1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1998-03-19 WO disclosed