SCHEMBL27200846

SCHEMBL27200846

CC(C)Oc1ccc(-c2ccc3c(c2)CCC(C)(C)C3OC(N)=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
RORC P51449 1/20 0.37
S1PR1 P21453 11/20 0.36
S1PR3 Q99500 4/20 0.36
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
CSNK2A1 P68400 2/20 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
SCHEMBL29121303 1.00 KMO (0.39) KMORORCS1PR1S1PR3BTK
SCHEMBL28828673 0.90 KMO (0.40) KMORORCS1PR1S1PR3BTK
SCHEMBL27210440 0.90 KMO (0.40) KMORORCS1PR1S1PR3BTK
SCHEMBL29228281 0.89 PTGS2 (0.38) KMOS1PR1MEN1LMNAKMT2A
SCHEMBL29121317 0.88 NR3C1 (0.37) S1PR1
SCHEMBL27200876 0.88 NR3C1 (0.37) S1PR1
SCHEMBL29121310 0.87 FFAR4 (0.40) KMORORCS1PR1S1PR3BTK
SCHEMBL29228228 0.86 SLC6A3 (0.36)
SCHEMBL29228388 0.86 ERN1 (0.38) RORCS1PR1MEN1LMNAKMT2A
SCHEMBL29121296 0.85 S1PR1 (0.38) S1PR1

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 5 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
EP-4041734-B1 DERIVATIVES HAVING 1,2,3,4-TETRAHYDRONAPHTHALENE MOIETY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-04-24 EP disclosed
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