SCHEMBL20168978

SCHEMBL20168978

CCCCCc1ccc(/C=C/[C@H](O)[C@@H](COC)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.54
SPHK2 Q9NRA0 1/20 0.54
ASAH2 Q9NR71 1/20 0.41
CTSK P43235 5/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KLK5 Q9Y337 1/20 0.37
TRPA1 O75762 1/20 0.37
TRPM2 O94759 1/20 0.37
PLA2G1B P04054 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL20651355 0.90 SPHK1 (0.65) SPHK1SPHK2ASAH2CTSKPPARG
SCHEMBL15259087 0.90 SPHK1 (0.65) SPHK1SPHK2ASAH2CTSKPPARG
SCHEMBL23519395 0.89 SPHK1 (0.64) SPHK1SPHK2ASAH2CTSKPPARG
SCHEMBL20609508 0.88 ASAH2 (0.43) SPHK1SPHK2ASAH2PPARA
SCHEMBL20168989 0.83 SPHK1 (0.77) SPHK1SPHK2ASAH2TRPA1TRPM2
SCHEMBL20651197 0.79 SPHK1 (0.47) SPHK1SPHK2ASAH2
SCHEMBL15259085 0.79 SPHK1 (0.47) SPHK1SPHK2ASAH2
SCHEMBL13896118 0.77 SPHK1 (0.65) SPHK1SPHK2ASAH2TRPA1TRPM2
SCHEMBL20651207 0.76 SPHK1 (0.74) SPHK1SPHK2ASAH2TRPA1TRPM2
SCHEMBL12450362 0.76 SPHK1 (0.74) SPHK1SPHK2ASAH2TRPA1TRPM2

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