SCHEMBL28828671

SCHEMBL28828671

COc1ccc(OC)c(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 2/20 0.35
TDP2 O95551 1/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA2 P47869 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MPO P05164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL28828755 0.92 FFAR1 (0.37) SLC9A1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL28828713 0.89 GRM2 (0.39) SMN1; SMN2
SCHEMBL28828524 0.87 TDP2 (0.46) SLC9A1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL28828506 0.86 CYP1A1 (0.40) SLC9A1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL28828637 0.85 STS (0.32) MEN1KMT2A
SCHEMBL28828583 0.85 RAF1 (0.38) MAPTMEN1KMT2AADORA3SMN1; SMN2
SCHEMBL28828676 0.83 CYP1A1 (0.45) TDP2SMN1; SMN2
SCHEMBL28828605 0.81 GRM2 (0.41) SMN1; SMN2
SCHEMBL29121222 0.81 GRM2 (0.41) SMN1; SMN2
SCHEMBL28828746 0.81 HTR2A (0.37) ALDH1A1MTNR1AMTNR1BHTT

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