SCHEMBL28828636

SCHEMBL28828636

CCCOc1cccc(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
DHODH Q02127 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CTSA P10619 1/20 0.34
MPL P40238 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL28828396 0.95 NR1H4 (0.37) ERN1SMARCA2SMARCA4BRD9SMN1; SMN2
SCHEMBL28828689 0.93 RXRA (0.37) CD274DHODHGAAMAPTPRMT5
SCHEMBL28828566 0.90 GAA (0.39) ERN1BACE1KDM4ELMNAGAA
SCHEMBL28828506 0.90 CYP1A1 (0.40) DHODHKDM4EALDH1A1LMNAGAA
SCHEMBL28828597 0.88 PRMT5 (0.37) KMT2ADHODHCTSAFABP1PRMT5
SCHEMBL28828564 0.88 CTSA (0.38) SMARCA2SMARCA4BRD9SMN1; SMN2KMT2A
SCHEMBL29121270 0.88 CTSA (0.38) SMARCA2SMARCA4BRD9SMN1; SMN2KMT2A
SCHEMBL28828391 0.86 ABCB1 (0.37) SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL28828663 0.86 RXRA (0.36) HPGDDHODHBACE1ALDH1A1LMNA
SCHEMBL28828679 0.86 SLC13A5 (0.40) ERN1SMARCA2SMARCA4BRD9SMN1; 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