SCHEMBL28828644

SCHEMBL28828644

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
LDHA P00338 1/20 0.34
ITGA4 P13612 7/20 0.34
ITGB1 P05556 6/20 0.34
ITGB7 P26010 4/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
TPH1 P17752 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL27200898 0.90 ITGA4 (0.35) EPHX1MMP2MMP9LDHAITGA4
SCHEMBL29121217 0.90 CYP2C19 (0.36) EPHX1ITGA4ITGB1
SCHEMBL28828535 0.90 HTR7 (0.34) LDHA
SCHEMBL28828675 0.89 TP53 (0.36) DGAT1SOAT1
SCHEMBL28950186 0.87 FFAR4 (0.36) DGAT1SOAT1
SCHEMBL29121206 0.87 EPHX1 (0.36) EPHX1
SCHEMBL28828600 0.87 EPHX1 (0.36) EPHX1
SCHEMBL28828393 0.87 AKR1C3 (0.37)
SCHEMBL28828717 0.85 PPARG (0.36) PPARGPPARA
SCHEMBL28828687 0.85 ERN1 (0.36) PPARGPPARA

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