SCHEMBL28828560

SCHEMBL28828560

COc1cc(OC)cc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 2/20 0.36
GRM2 Q14416 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL29121219 0.90 PRKAB2 (0.39) KDM1AKDM1BGRM2FFAR1
SCHEMBL28828510 0.90 PRKAB2 (0.39) KDM1AKDM1BGRM2FFAR1
SCHEMBL28828694 0.89 KDM1A (0.50) AKR1C3AKR1C2KDM1AKDM1BFFAR1
SCHEMBL29121273 0.89 KDM1A (0.50) AKR1C3AKR1C2KDM1AKDM1BFFAR1
SCHEMBL28828637 0.88 STS (0.32)
SCHEMBL27212738 0.87 FFAR4 (0.32)
SCHEMBL29121188 0.87 FFAR4 (0.32)
SCHEMBL29121222 0.86 GRM2 (0.41) KDM1AKDM1BGRM2FFAR1
SCHEMBL28828605 0.86 GRM2 (0.41) KDM1AKDM1BGRM2FFAR1
SCHEMBL28828414 0.85 PTGS2 (0.39) PTGS2

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