SCHEMBL8401557

SCHEMBL8401557

CCCCCC(C)(C)c1cc(OC(C)=O)cc(CC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACAT1 P24752 1/20 0.38
SOAT1 P35610 1/20 0.38
CNR2 P34972 11/20 0.37
CNR1 P21554 9/20 0.37
PTGES O14684 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL8401554 0.85 ALOX5 (0.45) ALOX5KDM4ETP53CYP3A4MAPT
SCHEMBL7796424 0.81 PLA2G2A (0.40) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL7795937 0.79 THRB (0.44) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL6565887 0.77 CNR2 (0.37) ALOX5KDM4ETP53CYP3A4MAPT
SCHEMBL7794855 0.77 THRA (0.45) CYP3A4CNR2CNR1TRPV1
SCHEMBL6565867 0.76 PTGS2 (0.39) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL7944998 0.75 ESR1 (0.40) CNR2CNR1
SCHEMBL27329705 0.73 ALOX5 (0.40) ALOX5CNR2CNR1
SCHEMBL7942504 0.72 CNR2 (0.39) ALOX5CNR2CNR1
SCHEMBL7786612 0.71 TNFRSF1A (0.46) KDM4ETP53CYP3A4MAPTALOX15

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
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed