SCHEMBL28828385

SCHEMBL28828385

COc1cc2c(cc1-c1ccc(C3CC3)cc1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.36
PDE4D Q08499 6/20 0.36
PDE4A P27815 5/20 0.36
PDE4C Q08493 5/20 0.36
TGFBR1 P36897 2/20 0.33
ACVR1 Q04771 2/20 0.33
KCNH2 Q12809 1/20 0.33
STS P08842 1/20 0.32
APP P05067 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MCHR1 Q99705 1/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
LMNA P02545 1/20 0.31
MAPK14 Q16539 1/20 0.31
QDPR P09417 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL28828639 0.86 CYP3A4 (0.41) APPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28828675 0.85 TP53 (0.36) DGAT1SOAT1LMNAMEN1KMT2A
SCHEMBL28828393 0.85 AKR1C3 (0.37) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL28828683 0.85 DHODH (0.38) STSLMNAMEN1KMT2A
SCHEMBL28828389 0.84 ALDH1A1 (0.37) LMNAMEN1KMT2A
SCHEMBL28950186 0.84 FFAR4 (0.36) DGAT1SOAT1MEN1KMT2A
SCHEMBL28828687 0.84 ERN1 (0.36)
SCHEMBL28828644 0.83 EPHX1 (0.35) DGAT1SOAT1
SCHEMBL28828637 0.83 STS (0.32) PDE4BPDE4DPDE4APDE4CSTS
SCHEMBL28828702 0.82 NPC1 (0.35) STSAPPCYP3A4CYP2D6CYP2C9

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