SCHEMBL3712342

SCHEMBL3712342

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](C)NC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 5/20 0.74
MAPT P10636 4/20 0.57
TP53 P04637 3/20 0.57
CYP2D6 P10635 3/20 0.57
MAPK1 P28482 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CETP P11597 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
THRB P10828 3/20 0.55
ASAH1 Q13510 2/20 0.53
ALDH1A1 P00352 2/20 0.52
GMNN O75496 2/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 2/20 0.50
POLB P06746 2/20 0.50
CXCR5 P32302 2/20 0.50
CCR6 P51684 2/20 0.50

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
SCHEMBL3712347 1.00 ASAH2 (0.74) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL3712341 1.00 ASAH2 (0.74) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL3712345 1.00 ASAH2 (0.74) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL30654713 0.85 ASAH2 (1.00) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL18506537 0.85 ASAH2 (1.00) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL30145483 0.85 ASAH2 (1.00) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL13849917 0.85 ASAH2 (1.00) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL27013983 0.85 ASAH2 (1.00) ASAH2MAPTTP53CYP2D6MAPK1
SCHEMBL29967428 0.84 ASAH2 (0.97) ASAH2TP53CETPMEN1KMT2A
SCHEMBL12227954 0.84 ASAH2 (0.97) ASAH2TP53CETPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010085547-A2 METHODS OF PREPARING 1-DEOXY-SPHINGOID BASES AND DERIVATIVES THEREOF EMORY UNIVERSITY (US) 2010-07-29 WO disclosed