SCHEMBL8709784

SCHEMBL8709784

COC(=O)C1CCCCC1C(=O)C(OC)c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.38
TAS1R1 Q7RTX1 5/20 0.38
TAS1R2 Q8TE23 4/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32

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
SCHEMBL8708010 0.88 TAS1R3 (0.38) TAS1R3TAS1R1GAAPOLB
SCHEMBL8705515 0.88 GAA (0.40) TAS1R3TAS1R1TAS1R2NPSR1LMNA
SCHEMBL8703076 0.85 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2SLC6A2SLC6A4
SCHEMBL8707678 0.81 HSP90AA1 (0.38) TAS1R3TAS1R1TAS1R2LMNAPOLB
SCHEMBL8707410 0.79 POLB (0.38) TAS1R3TAS1R1TAS1R2SLC6A2SLC6A4
SCHEMBL8703644 0.78 MEN1 (0.34) TAS1R3TAS1R1TAS1R2SLC6A2SLC6A4
SCHEMBL8707381 0.75 RECQL (0.32) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8710260 0.74 POLB (0.38) POLB
SCHEMBL8707570 0.74 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2SLC6A2SLC6A4
SCHEMBL8708068 0.73 KDM4E (0.36) TAS1R3TAS1R1TAS1R2NPSR1GAA

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