SCHEMBL28828524

SCHEMBL28828524

COc1ccc(OC)c(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
DHFR P00374 1/20 0.39
SLC9A1 P19634 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
RELA Q04206 2/20 0.37
ABCB1 P08183 1/20 0.36
CTSA P10619 3/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36

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
SCHEMBL28828676 0.93 CYP1A1 (0.45) TDP2RELAABCB1CTSACYP1A1
SCHEMBL29228392 0.90 TDP2 (0.44) TDP2HDAC4HDAC2HDAC8PDK1
SCHEMBL28828608 0.89 CTSA (0.37) TDP2RARARARBRARGCTSA
SCHEMBL28828390 0.88 FFAR1 (0.42) APPBACE1
SCHEMBL28828431 0.88 RORC (0.37) TDP2PDK1PDK2PDK3PDK4
SCHEMBL28828559 0.88 ABL1 (0.43) SLC9A1CTSAALDH1A1HPGD
SCHEMBL28828616 0.88 PIN1 (0.43) SLC9A1RELACTSAAPPBACE1
SCHEMBL28828483 0.88 EDNRB (0.42) PDK1PDK2PDK3PDK4DHFR
SCHEMBL28828394 0.87 DYRK1A (0.36) TDP2SLC9A1RELACYP1A1CYP1A2
SCHEMBL28828671 0.87 SLC9A1 (0.38) TDP2HDAC4HDAC2HDAC8SLC9A1

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