SCHEMBL28828531

SCHEMBL28828531

CCc1cccc(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 4/20 0.36
FFAR1 O14842 3/20 0.33
BCL2 P10415 1/20 0.33
PDE4D Q08499 1/20 0.33
MTNR1B P49286 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
GRIN2C Q14957 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CTSA P10619 1/20 0.32
POLQ O75417 1/20 0.32
PLA2G2A P14555 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
SCHEMBL28828535 0.90 HTR7 (0.34) HTR7FFAR1PDE4DMTNR1BCTSA
SCHEMBL28828675 0.89 TP53 (0.36) LMNAHTTKMT2ASMN1; SMN2GRIN2C
SCHEMBL29121248 0.87 BCL2 (0.34) FFAR1BCL2
SCHEMBL28828651 0.87 BCL2 (0.34) FFAR1BCL2
SCHEMBL28828506 0.87 CYP1A1 (0.40) LMNA
SCHEMBL28828689 0.87 RXRA (0.37)
SCHEMBL28828464 0.86 F2R (0.39) LMNAKMT2AKCNH2CTSA
SCHEMBL28828451 0.85 CTSA (0.38) MTNR1BDPP4CTSA
SCHEMBL28828387 0.84 BCL2 (0.43) LMNAHTTKMT2ASMN1; SMN2BCL2
SCHEMBL29121243 0.84 BCL2 (0.43) LMNAHTTKMT2ASMN1; SMN2BCL2

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