SCHEMBL24568853

SCHEMBL24568853

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37

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
SCHEMBL21149312 0.81 MLYCD (0.38) —
SCHEMBL20907635 0.81 MLYCD (0.38) —
SCHEMBL9963462 0.81 DPP4 (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL26319463 0.81 MLYCD (0.38) —
SCHEMBL24568584 0.75 DPP4 (0.30) —
SCHEMBL6348001 0.73 CA2 (0.40) —
SCHEMBL8570371 0.73 KMT2A (0.34) —
SCHEMBL28923088 0.73 — —
SCHEMBL23978548 0.72 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL12836479 0.72 TAS1R3 (0.39) 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
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 — — WO disclosed
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