SCHEMBL8709790

SCHEMBL8709790

COC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCCCC1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 3/20 0.35
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8708016 0.92 ALDH1A1 (0.37) EPHX2GAAPOLBLMNAHPGD
SCHEMBL8705521 0.90 EPHX2 (0.33) EPHX2TAS1R3TAS1R1TAS1R2GAA
SCHEMBL8703085 0.88 TAS1R3 (0.35) EPHX2TAS1R3TAS1R1TAS1R2GAA
SCHEMBL8707575 0.84 TAS1R3 (0.39) EPHX2TAS1R3TAS1R1TAS1R2GAA
SCHEMBL8704592 0.79 NPSR1 (0.34) EPHX2TAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL8703756 0.78 LMNA (0.35) EPHX2TAS1R3TAS1R1TAS1R2GAA
SCHEMBL8704362 0.77 NPSR1 (0.33) EPHX2TAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL8703842 0.76 KDM4E (0.34) EPHX2TAS1R3TAS1R1TAS1R2POLB
SCHEMBL8707684 0.76 POLB (0.33) EPHX2TAS1R3TAS1R1TAS1R2GAA
SCHEMBL8703256 0.76 HRH3 (0.36) EPHX2TAS1R3TAS1R1TAS1R2GAA

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-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed