SCHEMBL30151142

SCHEMBL30151142

O=C(O)CCc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.47
FFAR1 O14842 10/20 0.46
FFAR4 Q5NUL3 6/20 0.46
FFAR2 O15552 1/20 0.46
KMO O15229 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL29009780 0.90 MGLL (0.47) IDO1PTGDR2FFAR1FFAR4FFAR2
SCHEMBL27551256 0.88 IDO1 (0.50) IDO1
SCHEMBL584750 0.87 FFAR1 (0.54) IDO1PTGDR2FFAR1FFAR4
SCHEMBL5208242 0.85 IDO1 (0.51) IDO1
SCHEMBL34475543 0.83 CES2 (0.50) PTGDR2FFAR1FFAR4FFAR2KMO
SCHEMBL1207452 0.83 CES2 (0.50) PTGDR2FFAR1FFAR4FFAR2KMO
SCHEMBL2393327 0.83 POLB (0.54) PTGDR2FFAR1FFAR4FFAR2KMO
Trifluoroacetic Acid SCHEMBL30151180 0.83 IDO1 (0.43) IDO1PTGDR2FFAR1FFAR4FFAR2
SCHEMBL892902 0.83 IDO1 (0.51) IDO1PTGDR2FFAR4
SCHEMBL30120834 0.83 IDO1 (0.51) IDO1PTGDR2FFAR4

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