SCHEMBL28828495

SCHEMBL28828495

CC1(C)Cc2cc(-c3cccc(Cl)c3)ccc2C1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.41
SLC6A3 Q01959 3/20 0.39
TDP2 O95551 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC6A7 Q99884 2/20 0.36
SLC9A1 P19634 1/20 0.36
ESR2 Q92731 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
ALOX5 P09917 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL28828373 0.92 PGR (0.43) PGRSLC6A3TDP2CA1CA2
SCHEMBL28828610 0.92 RXRA (0.34) PGRSLC9A1
SCHEMBL28828640 0.90 SIRT2 (0.36) PGRSLC6A3TDP2SLC9A1
SCHEMBL29228403 0.88 PGR (0.38) PGRSLC6A3TDP2SLC6A7SLC9A1
SCHEMBL28828698 0.88 IKBKB (0.38) TDP2
SCHEMBL28828703 0.87 PGR (0.38) PGRSLC6A3SLC9A1
SCHEMBL28828601 0.86 TDP2 (0.39) PGRTDP2SLC9A1
SCHEMBL28828591 0.86 F2R (0.42) PGRCA1CA2ESR2PARP10
SCHEMBL28828544 0.85 SLC9A1 (0.39) SLC9A1
SCHEMBL29121361 0.85 PKM (0.34) SLC9A1

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