SCHEMBL9019946

SCHEMBL9019946

Cc1c(F)c(F)c(C(=O)CC(=O)C2CC2)c(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 14/20 0.42
TAS1R1 Q7RTX1 13/20 0.42
TAS1R2 Q8TE23 13/20 0.42
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
SCHEMBL9019967 0.88 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2POLBCES2
SCHEMBL8887354 0.72 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2
SCHEMBL9019898 0.69 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2CES2CES1
SCHEMBL19478297 0.68 TSHR (0.42) TAS1R3TAS1R1TAS1R2CES2CES1
SCHEMBL6748550 0.67 HPGD (0.33)
SCHEMBL8813179 0.67 SLC6A4 (0.45) TAS1R3TAS1R1TAS1R2
SCHEMBL8524817 0.66 TP53 (0.31)
SCHEMBL8491839 0.65 TP53 (0.33)
SCHEMBL22795572 0.65 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2
SCHEMBL10631305 0.65 CES2 (0.38) TAS1R3TAS1R1TAS1R2POLBCES2

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