SCHEMBL31757

SCHEMBL31757

CC[C@H](O)/C=C/C=C\C/C=C\C=C/[C@@H](O)C/C=C\CCCC(=O)O

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 3/20 0.80
CMKLR1 Q99788 1/20 0.66
LTB4R2 Q9NPC1 2/20 0.65
ALOX5 P09917 1/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LTB4R Q15722 1/20 0.61
FAAH O00519 1/20 0.55
FPR2 P25090 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL32029 1.00 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL29922406 1.00 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31928 1.00 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31955 1.00 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31964 1.00 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31967 0.96 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31999 0.96 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31995 0.96 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL29922397 0.96 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31957 0.96 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT

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-2012026106-A1 OPTICALLY ACTIVE NOVEL ANTI-INFLAMMATORY COMPOUND AND METHOD FOR PRODUCING SAME 国立大学法人 東京大学 (JP) 2012-03-01 WO disclosed