SCHEMBL9228405

SCHEMBL9228405

Cc1cc(CCC(=O)OCC(C)C(C)C)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
APP P05067 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
S1PR1 P21453 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35
HMGB1 P09429 1/20 0.34
CXCL12 P48061 1/20 0.34
ESR1 P03372 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL9227625 0.88 ALOX5 (0.41) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL9229651 0.83 ALOX5 (0.38) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL6071507 0.82 ALOX5 (0.52) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL15080678 0.82 CYP4F2 (0.46) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL9220767 0.82 THRA (0.44) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL9225923 0.82 CYP4F2 (0.39) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL12386503 0.81 ALOX5 (0.49) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL889921 0.81 CYP4F2 (0.57) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL12352182 0.80 CYP4F2 (0.47) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1
SCHEMBL19047012 0.80 ALOX5 (0.57) ALOX5CYP4F2CYP4A11ALDH1A1PTGS1

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
EP-0636647-A1 Use of substituted phenols as fatique protectors for dynamically stressed elastomers BAYER AG (DE) 1995-02-01 EP disclosed