SCHEMBL30151135

SCHEMBL30151135

O=C(O)CCc1cc(I)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
FFAR1 O14842 7/20 0.47
FFAR4 Q5NUL3 4/20 0.47
LMNA P02545 1/20 0.44
GPR17 Q13304 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
KEAP1 Q14145 1/20 0.40
TACR1 P25103 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PCNA P12004 1/20 0.39

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
SCHEMBL1015795 0.88 LMNA (0.54) THRATHRBFFAR1FFAR4LMNA
Trifluoroacetic Acid SCHEMBL30151186 0.83 PPARA (0.38) THRATHRBFFAR1FFAR4TACR1
SCHEMBL17310946 0.81 RXRA (0.51) THRATHRBFFAR1FFAR4LMNA
SCHEMBL30151149 0.80 THRA (0.50) THRATHRBFFAR1FFAR4LMNA
SCHEMBL30151169 0.80 FFAR4 (0.48) THRATHRBFFAR1FFAR4LMNA
SCHEMBL7812479 0.77 LMNA (0.51) THRATHRBFFAR1FFAR4LMNA
SCHEMBL29010111 0.77 RXRA (0.37) LMNARXRARXRBRXRGTACR1
SCHEMBL18255658 0.76 FFAR1 (0.50) THRATHRBFFAR1FFAR4LMNA
SCHEMBL14441580 0.76 RXRA (0.56) THRATHRBFFAR1FFAR4RXRA
SCHEMBL9886164 0.75 IDO1 (0.37) LMNATACR1

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