SCHEMBL30151151

SCHEMBL30151151

O=C(O)CCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.51
FFAR1 O14842 10/20 0.49
FFAR4 Q5NUL3 8/20 0.48
EPHX2 P34913 1/20 0.46
KEAP1 Q14145 1/20 0.44

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
SCHEMBL1567847 1.00 NR3C2 (0.51) NR3C2FFAR1FFAR4EPHX2KEAP1
SCHEMBL28292529 0.90 CYP1A2 (0.50) NR3C2FFAR1FFAR4
SCHEMBL27841065 0.88 NR3C2 (0.52) NR3C2
SCHEMBL585165 0.87 FFAR4 (0.51) FFAR1FFAR4EPHX2
Trifluoroacetic Acid SCHEMBL30151176 0.83 NR3C2 (0.46) NR3C2FFAR1FFAR4
SCHEMBL30120926 0.83 RXRA (0.57) NR3C2
SCHEMBL308545 0.83 RXRA (0.57) NR3C2
SCHEMBL22630207 0.82 FFAR1 (0.56) FFAR1FFAR4EPHX2
SCHEMBL3534750 0.81 FFAR1 (0.50) FFAR1FFAR4EPHX2KEAP1
SCHEMBL586063 0.80 FFAR1 (0.58) FFAR1FFAR4KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551846-B 1,4,5, 6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2024-03-08 CN claimed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO claimed
CN-115551846-A 1,4,5,6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2022-12-30 CN claimed
CN-115551846-B 1,4,5, 6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2024-03-08 CN disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO disclosed
CN-115551846-A 1,4,5,6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2022-12-30 CN disclosed