SCHEMBL30151178

SCHEMBL30151178

O=C(O)CCc1cccc(C(F)(F)F)c1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.50
EPHX2 P34913 2/20 0.49
FFAR1 O14842 2/20 0.46
PTGS2 P35354 2/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
PARP1 P09874 1/20 0.41
P2RX7 Q99572 5/20 0.41

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
SCHEMBL29009963 0.90 FFAR4 (0.54) FFAR4EPHX2FFAR1PTGS2POLB
SCHEMBL27643599 0.88 FFAR4 (0.43) FFAR4EPHX2PTGS2POLBGAA
SCHEMBL9644005 0.85 NPSR1 (0.44) FFAR4EPHX2FFAR1POLBPTGER1
SCHEMBL1567998 0.85 FFAR4 (0.48) FFAR4EPHX2FFAR1POLB
SCHEMBL1953231 0.84 EPHX2 (0.59) FFAR4EPHX2FFAR1POLBGAA
SCHEMBL29733422 0.84 EPHX2 (0.59) FFAR4EPHX2FFAR1POLBGAA
Trifluoroacetic Acid SCHEMBL30151156 0.83 EPHX2 (0.41) FFAR4EPHX2FFAR1PTGS2POLB
SCHEMBL29525642 0.83 PTGS2 (0.57) FFAR4EPHX2PTGS2P2RX7
SCHEMBL305056 0.83 PTGS2 (0.57) FFAR4EPHX2PTGS2P2RX7
SCHEMBL11523361 0.82 EPHX2 (0.48) FFAR4EPHX2FFAR1PTGS2POLB

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