SCHEMBL28828674

SCHEMBL28828674

COc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.35
PDE4A P27815 7/20 0.35
PDE4C Q08493 7/20 0.35
PDE4D Q08499 7/20 0.35
KMO O15229 1/20 0.35
KDM1A O60341 2/20 0.34
MAOA P21397 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PFKFB3 Q16875 1/20 0.33
MIF P14174 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL28828509 0.88 MCL1 (0.34)
SCHEMBL28828529 0.88 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL28828522 0.88 DYRK1A (0.38) PDE4BPDE4APDE4CPDE4DKMO
SCHEMBL28828606 0.86 CNR1 (0.36) PDE4BPDE4APDE4CPDE4D
SCHEMBL28828534 0.85 PTGS2 (0.39) PDE4BPDE4APDE4CPDE4DKMO
SCHEMBL28828572 0.85 ITGB1 (0.34) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL28828667 0.85 SLC6A3 (0.37) KMO
SCHEMBL29121361 0.85 PKM (0.34) KMOALDH1A1HPGDKDM4EMAPT
SCHEMBL28828363 0.85 CHRNB2 (0.39) TSHRHPGDLMNA
SCHEMBL28828382 0.84 DHODH (0.36) ALDH1A1HPGDMAPT

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