SCHEMBL31414482

SCHEMBL31414482

CCOC(=O)[C@@H]1C[C@H]1CCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA9 Q16790 8/20 0.46
CA12 O43570 7/20 0.46
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 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
SCHEMBL26245379 0.83 CA1 (0.44) CA1CA2CA9CA12MAPT
SCHEMBL24408786 0.83 CA1 (0.44) CA1CA2CA9CA12MAPT
SCHEMBL15805069 0.80 CA1 (0.48) CA1CA2CA9CA12MAPT
SCHEMBL18202965 0.80 CA1 (0.48) CA1CA2CA9CA12MAPT
SCHEMBL28741168 0.79 CA1 (0.47) CA1CA2CA9CA12PPM1B
SCHEMBL26952470 0.79 CA1 (0.47) CA1CA2CA9CA12PPM1B
SCHEMBL15799249 0.78 CA1 (0.43) CA1CA2CA9CA12POLB
SCHEMBL1897870 0.77 CA1 (0.49) CA1CA2CA9CA12PPM1B
SCHEMBL11526718 0.77 CA1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL31715807 0.77 CA1 (0.49) CA1CA2CA9CA12PPM1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed