SCHEMBL28828487

SCHEMBL28828487

CCC1(CC)Cc2cc(-c3cccc(C(C)(C)C)c3)ccc2C1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
DHODH Q02127 1/20 0.34
KIF11 P52732 2/20 0.33
CTSA P10619 1/20 0.33
FFAR1 O14842 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
SERPINE1 P05121 1/20 0.32
ASIC1 P78348 1/20 0.32
ACHE P22303 2/20 0.32
F9 P00740 2/20 0.31
CYP26A1 O43174 2/20 0.31
CYP26B1 Q9NR63 2/20 0.31
ICMT O60725 2/20 0.30

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
SCHEMBL28828628 0.91 DHODH (0.37) RXRARXRBDHODHKIF11PPARG
SCHEMBL28828619 0.86 RXRA (0.43) RXRARXRBDHODHKIF11CTSA
SCHEMBL28828709 0.86 F2R (0.40) ICMT
SCHEMBL28828723 0.85 BCL2 (0.42) FFAR1
SCHEMBL28828554 0.84 F2 (0.41) FFAR1
SCHEMBL28828665 0.84 RXRA (0.34) RXRARXRB
SCHEMBL28828629 0.84 RXRA (0.41) RXRARXRBF9
SCHEMBL28828375 0.83 LRRK2 (0.38) FFAR1
SCHEMBL28828472 0.83 RXRA (0.46) RXRARXRBDHODHCTSAFFAR1
SCHEMBL28828450 0.82 KDM1A (0.36) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN claimed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN claimed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed