SCHEMBL8707142

SCHEMBL8707142

Cc1cc(C)c(CC(=O)C2(C(=O)O)CCCC(C)C2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.36
TAS1R1 Q7RTX1 5/20 0.36
TAS1R2 Q8TE23 5/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL8707575 0.89 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2HRH3KDM4E
SCHEMBL8703945 0.86 MEN1 (0.36) TAS1R3TAS1R1TAS1R2HRH3KDM4E
SCHEMBL8703256 0.83 HRH3 (0.36) TAS1R3TAS1R1TAS1R2HRH3KDM4E
SCHEMBL8705521 0.80 EPHX2 (0.33) TAS1R3TAS1R1TAS1R2HRH3KDM4E
SCHEMBL8704270 0.75 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2HRH3KDM4E
SCHEMBL8703085 0.75 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2HRH3MEN1
SCHEMBL8704062 0.74 CYP1A2 (0.38) TAS1R3TAS1R1TAS1R2HRH3EPHX2
Bicarbonate SCHEMBL8015722 0.73 HRH3 (0.35) TAS1R3TAS1R1TAS1R2HRH3KDM4E
SCHEMBL8704201 0.73 HRH3 (0.35) TAS1R3TAS1R1TAS1R2HRH3KDM4E
SCHEMBL8704022 0.73 HRH3 (0.33) TAS1R3TAS1R1TAS1R2HRH3KDM4E

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