SCHEMBL24568367

SCHEMBL24568367

CC(C)[C@@H](C)NC(=O)NC(C)(C)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.38
TAS1R1 Q7RTX1 5/20 0.38
TAS1R2 Q8TE23 5/20 0.38
POLB P06746 1/20 0.31
TRPA1 O75762 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
SCHEMBL24568621 0.83 MLYCD (0.35) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL24567754 0.79 POLB (0.45) TAS1R3TAS1R1TAS1R2POLBTRPA1
SCHEMBL18793674 0.79 POLB (0.45) TAS1R3TAS1R1TAS1R2POLBTRPA1
SCHEMBL24567759 0.77
SCHEMBL2820334 0.72 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2
SCHEMBL13829831 0.72 MAPT (0.35)
SCHEMBL13401126 0.70 MAPT (0.37) POLB
SCHEMBL24785341 0.68 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2
SCHEMBL22298130 0.67 CA2 (0.42) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL24785343 0.67 CA2 (0.42) TAS1R3TAS1R1TAS1R2POLB

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
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed