SCHEMBL28828446

SCHEMBL28828446

COc1ccc(C(C)C)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 2/20 0.43
CTSA P10619 12/20 0.40
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
CETP P11597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL28828524 0.87 TDP2 (0.46) CTSARARARARBRARGALDH1A1
SCHEMBL28828608 0.87 CTSA (0.37) CTSARARARARBRARGACHE
SCHEMBL28828451 0.86 CTSA (0.38) CTSAAKR1C3AKR1C2
SCHEMBL28828559 0.86 ABL1 (0.43) CTSAALDH1A1
SCHEMBL28828616 0.86 PIN1 (0.43) CTSA
SCHEMBL28828393 0.86 AKR1C3 (0.37) OTUD7BCTSAAKR1C3AKR1C2ALDH1A1
SCHEMBL28828483 0.85 EDNRB (0.42)
SCHEMBL28828501 0.84 RXRA (0.44) ALDH1A1CYP3A4MAPTALOX15
SCHEMBL29121307 0.84 RXRA (0.44) ALDH1A1CYP3A4MAPTALOX15
SCHEMBL28828534 0.82 PTGS2 (0.39) MAPT

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