SCHEMBL29228403

SCHEMBL29228403

CC1(C)CCc2cc(-c3cccc(Cl)c3)ccc2C1OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.38
SLC6A3 Q01959 4/20 0.37
PTPN11 Q06124 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
TDP2 O95551 1/20 0.37
DGAT1 O75907 1/20 0.36
SLC6A2 P23975 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.35
BACE1 P56817 1/20 0.35
SLC6A7 Q99884 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN5A Q14524 1/20 0.35
SLC9A1 P19634 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
SCHEMBL29228244 0.92 PGR (0.39) PGRSLC6A3PARP10PARP11TDP2
SCHEMBL29228225 0.92 DAGLA (0.33) PGRPTPN11KCNH2BACE1SLC9A1
SCHEMBL29228420 0.91 MAP4K4 (0.38) SLC6A3TDP2DGAT1SLC6A2JAK2
SCHEMBL28828495 0.88 PGR (0.41) PGRSLC6A3PARP10PARP11TDP2
SCHEMBL29228228 0.87 SLC6A3 (0.36) PGRSLC6A3SLC6A2SLC9A1
SCHEMBL27200980 0.87 PGR (0.39) PGRSLC6A3PARP10PARP11TDP2
SCHEMBL29228176 0.86 F2R (0.41) PTPN11PARP10PARP11DGAT1JAK2
SCHEMBL29228251 0.86 SLC9A1 (0.38) DGAT1SLC9A1
SCHEMBL29121194 0.85 F2 (0.41) PGRDGAT1BACE1SLC9A1
SCHEMBL29228175 0.85 RXRA (0.42) JAK2

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-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN claimed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN claimed
CN-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN disclosed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN disclosed