SCHEMBL9220767

SCHEMBL9220767

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP4Z1 Q86W10 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ESR1 P03372 2/20 0.37
APP P05067 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
S1PR1 P21453 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL9223518 0.90 CYP3A4 (0.59) THRATHRBTDP1CYP4F2CYP4A11
SCHEMBL9227625 0.85 ALOX5 (0.41) THRATHRBTDP1CYP4F2CYP4A11
SCHEMBL889921 0.84 CYP4F2 (0.57) TDP1CYP4F2CYP4A11ALOX5ALDH1A1
SCHEMBL15080678 0.82 CYP4F2 (0.46) TDP1CYP4F2CYP4A11ALOX5ALDH1A1
SCHEMBL6071507 0.82 ALOX5 (0.52) TDP1CYP4F2CYP4A11ALOX5ALDH1A1
SCHEMBL9228405 0.82 ALOX5 (0.39) THRATHRBTDP1CYP4F2CYP4A11
SCHEMBL9225923 0.82 CYP4F2 (0.39) CYP4F2CYP4A11ALOX5ALDH1A1CYP4Z1
SCHEMBL12386503 0.81 ALOX5 (0.49) TDP1CYP4F2CYP4A11ALOX5ALDH1A1
SCHEMBL26049317 0.81 GAA (0.47) ALOX5ALDH1A1
SCHEMBL9226392 0.80 ALOX5 (0.48) TDP1CYP4F2CYP4A11ALOX5ALDH1A1

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