SCHEMBL20168979

SCHEMBL20168979

CCCCCOc1ccc(/C=C/[C@H](O)[C@@H](COC)NC)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.56
SPHK2 Q9NRA0 1/20 0.56
AHR P35869 1/20 0.46
NR5A1 Q13285 1/20 0.42
PLA2G4B P0C869 1/20 0.41
APP P05067 8/20 0.41
ASAH2 Q9NR71 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL13896121 0.91 SPHK1 (0.57) SPHK1SPHK2AHRNR5A1APP
SCHEMBL23519670 0.90 SPHK1 (0.46) SPHK1SPHK2AHRNR5A1PLA2G4B
SCHEMBL12450356 0.90 SPHK1 (0.70) SPHK1SPHK2AHRNR5A1APP
SCHEMBL20905106 0.87 SPHK1 (0.70) SPHK1SPHK2AHRAPPABCG2
SCHEMBL20168989 0.85 SPHK1 (0.77) SPHK1SPHK2ASAH2
SCHEMBL20609508 0.83 ASAH2 (0.43) SPHK1SPHK2PLA2G4BASAH2ABCG2
SCHEMBL23519671 0.81 SPHK1 (0.55) SPHK1SPHK2AHRNR5A1PLA2G4B
SCHEMBL12812128 0.80 SPHK1 (0.51) SPHK1SPHK2AHRNR5A1PLA2G4B
SCHEMBL18194576 0.79 SPHK1 (0.52) SPHK1SPHK2AHRNR5A1PLA2G4B
SCHEMBL12450354 0.79 SPHK1 (0.52) SPHK1SPHK2AHRNR5A1PLA2G4B

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
US-9974758-B2 Sphingosine kinase type 1 inhibitors and uses thereof ENZO THERAPEUTICS, INC. (US) 2018-05-22 US disclosed