SCHEMBL28828667

SCHEMBL28828667

Cc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
F2R P25116 4/20 0.33
KMO O15229 2/20 0.33
ABL1 P00519 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
ERN1 O75460 1/20 0.32
CHRNA7 P36544 1/20 0.31
PPARA Q07869 2/20 0.31
MTOR P42345 1/20 0.31
PPARG P37231 1/20 0.31
SLC9A1 P19634 1/20 0.31
NISCH Q9Y2I1 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL28828388 0.91 DAPK3 (0.38) F2RCHRNA7SLC9A1
SCHEMBL28828604 0.91 CYP17A1 (0.33) F2RCREBBPHDAC1
SCHEMBL28828509 0.89 MCL1 (0.34)
SCHEMBL28828556 0.88 F2R (0.35) F2R
SCHEMBL28828686 0.87 SIRT1 (0.36) KMOABL1SLC9A1
SCHEMBL28828591 0.87 F2R (0.42) F2R
SCHEMBL28828426 0.87 KDM1A (0.39) F2RHDAC1
SCHEMBL28828538 0.86 SSTR2 (0.35) F2RHDAC1HDAC6
SCHEMBL29121267 0.86 SLC9A1 (0.33) F2RSLC9A1
SCHEMBL29121361 0.86 PKM (0.34) KMOABL1SLC9A1

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