SCHEMBL28828679

SCHEMBL28828679

CCCOc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 2/20 0.40
CTSA P10619 1/20 0.39
ERN1 O75460 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MPL P40238 1/20 0.38
FPR2 P25090 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36

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
SCHEMBL28950180 0.95 NR1H4 (0.41) RXRARXRBSMN1; SMN2NR1H4
SCHEMBL28828488 0.92 ACACB (0.37) ERN1ALDH1A1MPLACACBACACA
SCHEMBL28828550 0.92 RXRA (0.47) SLC13A5BACE1CTSARXRARXRB
SCHEMBL28828532 0.91 HDAC1 (0.36) BACE1RXRARXRBCHEK1CHEK2
SCHEMBL28828521 0.91 CHEK1 (0.46) RXRARXRBCHEK1CHEK2
SCHEMBL29121230 0.90 SLC13A5 (0.39) SLC13A5KMT2ABACE1CTSAERN1
SCHEMBL28828424 0.89 FFAR4 (0.34) SLC13A5KMT2ABACE1CTSAERN1
SCHEMBL27212728 0.89 DYRK3 (0.43) KDM4EALDH1A1LMNASMN1; SMN2CHEK1
SCHEMBL28828614 0.88 FYN (0.40) RXRARXRBCHEK1CHEK2ICMT
SCHEMBL28828372 0.87 RARB (0.40) KMT2AALDH1A1SMN1; SMN2

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