SCHEMBL9019967

SCHEMBL9019967

Cc1c(F)c(Cl)c(F)c(F)c1C(=O)CC(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.36
TAS1R1 Q7RTX1 6/20 0.36
TAS1R2 Q8TE23 6/20 0.36
POLB P06746 1/20 0.34
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL9019946 0.88 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2POLBCES2
SCHEMBL9019887 0.69 CES2 (0.40) TAS1R3TAS1R1TAS1R2CES2CES1
SCHEMBL7011293 0.68 GAA (0.42)
SCHEMBL8887354 0.67 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2
SCHEMBL8813179 0.67 SLC6A4 (0.45) TAS1R3TAS1R1TAS1R2
SCHEMBL6748550 0.67 HPGD (0.33)
SCHEMBL9085811 0.66 ALDH1A1 (0.36) POLB
SCHEMBL8524817 0.66 TP53 (0.31)
SCHEMBL8491839 0.65 TP53 (0.33)
SCHEMBL8007008 0.64 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2

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-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed