SCHEMBL9225613

SCHEMBL9225613

CCC(C)(C)CC(C)COC(=O)CCc1cc(C)c(O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP4Z1 Q86W10 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 1/20 0.33
APP P05067 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9225923 0.82 CYP4F2 (0.39) CYP4F2CYP4A11CYP4Z1ALOX5ALDH1A1
SCHEMBL9229651 0.81 ALOX5 (0.38) CYP4F2CYP4A11CYP4Z1ALOX5ALDH1A1
SCHEMBL9227625 0.80 ALOX5 (0.41) CYP4F2CYP4A11CYP4Z1ALOX5ALDH1A1
SCHEMBL9222202 0.79 ALOX5 (0.36) CYP4F2CYP4A11CYP4Z1ALOX5ALDH1A1
SCHEMBL9227924 0.78 GAA (0.32) CYP4F2CYP4A11GAAKMT2A
SCHEMBL9228405 0.78 ALOX5 (0.39) CYP4F2CYP4A11CYP4Z1ALOX5ALDH1A1
SCHEMBL9220767 0.78 THRA (0.44) CYP4F2CYP4A11CYP4Z1ALOX5ALDH1A1
SCHEMBL16883853 0.77 CNR2 (0.39) CYP4F2CYP4A11ALOX5ALDH1A1CNR2
SCHEMBL889921 0.77 CYP4F2 (0.57) CYP4F2CYP4A11CYP4Z1ALOX5ALDH1A1
SCHEMBL9229165 0.77 ALOX5 (0.40) CYP4F2CYP4A11ALOX5ALDH1A1ESR1

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