SCHEMBL28113609

SCHEMBL28113609

CCCCCCCCc1cc(C(=O)OC)cc(CCCCCCCC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.51
CNR2 P34972 1/20 0.51
PPARA Q07869 4/20 0.47
PPARG P37231 3/20 0.47
PTGS2 P35354 3/20 0.44
MGLL Q99685 2/20 0.44
GALK1 P51570 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3547720 0.91 ALOX5 (0.56) ALOX5CNR2PTGS2MGLLMEN1
SCHEMBL3547886 0.90 ALOX5 (0.56) ALOX5CNR2PTGS2MGLL
SCHEMBL28578497 0.86 MGLL (0.45) ALOX5PPARAPPARGPTGS2MGLL
SCHEMBL3545411 0.85 ALOX5 (0.50) ALOX5CNR2PPARAPPARGMGLL
SCHEMBL11672950 0.81 KDM4E (0.50) PPARAPPARGALDH1A1
SCHEMBL26239641 0.81 MGLL (0.50) ALOX5MGLLMEN1ALDH1A1KMT2A
SCHEMBL15173835 0.81 MGLL (0.60) ALOX5PPARAPTGS2MGLL
SCHEMBL8085884 0.81 MGLL (0.60) ALOX5PPARAPTGS2MGLL
SCHEMBL31099436 0.80 CNR2 (0.43) ALOX5CNR2PPARAPPARGGALK1
SCHEMBL31099439 0.80 CNR2 (0.43) ALOX5CNR2PPARAPPARGGALK1

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
CN-106146347-A A kind of Low-molecular weight organogel factor and preparation method and organogel 深圳大学 2016-11-23 CN disclosed