SCHEMBL28828637

SCHEMBL28828637

COc1cc(OC)cc(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 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
SCHEMBL28828506 0.89 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1GAA
SCHEMBL28828560 0.88 AKR1C3 (0.37)
SCHEMBL28828691 0.87 STS (0.31) STSTP53PDE4BPDE4D
SCHEMBL28828671 0.85 SLC9A1 (0.38) MEN1KMT2A
SCHEMBL28828663 0.84 RXRA (0.36) CYP1A1CYP1A2CYP1B1
SCHEMBL28828687 0.83 ERN1 (0.36)
SCHEMBL28828389 0.83 ALDH1A1 (0.37) TP53GAAMEN1KMT2A
SCHEMBL28828675 0.83 TP53 (0.36) TP53GAAMEN1KMT2A
SCHEMBL28828683 0.83 DHODH (0.38) STSTP53MEN1KMT2A
SCHEMBL28828746 0.82 HTR2A (0.37) STS

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