SCHEMBL28828685

SCHEMBL28828685

CCOc1c(C)cc(-c2ccc3c(c2)CC(CC)(CC)C3OC(N)=O)cc1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARD Q03181 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
SCHEMBL28828406 0.92 GSTA1 (0.32) MAPT
SCHEMBL28828655 0.91 GSTA1 (0.33) ALDH1A1HPGDPPARD
SCHEMBL28828704 0.88 KDM4E (0.33) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL29121302 0.88 KDM4E (0.33) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL28828516 0.86 PPARD (0.40) ALDH1A1PPARD
SCHEMBL29121172 0.84 KDM4E (0.32) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL28828472 0.84 RXRA (0.46) GAAMAPTPPARD
SCHEMBL28828407 0.82 RXRA (0.36) PPARD
SCHEMBL28828439 0.81 PPARA (0.36) PPARD
SCHEMBL28828450 0.81 KDM1A (0.36) KDM4EMAPT

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