SCHEMBL28828366

SCHEMBL28828366

CC(C)(C)c1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.39
KIF11 P52732 1/20 0.38
F9 P00740 2/20 0.35
ASIC1 P78348 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
CNR1 P21554 1/20 0.33
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HPGD P15428 2/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.31
IKBKB O14920 1/20 0.31
FFAR2 O15552 1/20 0.31
RXRG P48443 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL29121186 1.00 DHODH (0.39) DHODHKIF11F9ASIC1RXRA
SCHEMBL28828619 0.91 RXRA (0.43) DHODHKIF11F9ASIC1RXRA
SCHEMBL28828662 0.89 KIF11 (0.43) DHODHKIF11
SCHEMBL28828609 0.88 RXRB (0.43) DHODHRXRARXRBRXRG
SCHEMBL28828382 0.86 DHODH (0.36) DHODHKIF11HPGDALDH1A1MAPT
SCHEMBL29121311 0.86 ABL1 (0.33)
SCHEMBL28828698 0.85 IKBKB (0.38) DHODHIKBKB
SCHEMBL28828640 0.85 SIRT2 (0.36) CNR1IKBKBMAPTKDM4E
SCHEMBL28828426 0.85 KDM1A (0.39)
SCHEMBL28828628 0.85 DHODH (0.37) DHODHKIF11F9ASIC1RXRA

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