SCHEMBL30458162

SCHEMBL30458162

CC(C)(C)OC(=O)n1cc(CCl)c2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 1/20 0.45
EPHX1 P07099 1/20 0.39
ICMT O60725 2/20 0.38
PLK1 P53350 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
ACHE P22303 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL30458168 0.90 L3MBTL1 (0.47) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL29228913 0.89 HTR6 (0.55) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL30458192 0.89 HTR6 (0.55) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL17109096 0.86 HTR6 (0.55) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL16727070 0.86 HTR6 (0.55) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL16727058 0.85 HTR6 (0.52) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL16727068 0.85 HTR6 (0.54) HTR6L3MBTL1AKR1C3EPHX1ACHE
SCHEMBL3220344 0.84 L3MBTL1 (0.56) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL16727064 0.84 AKR1C3 (0.56) HTR6L3MBTL1AKR1C3AKR1C2PDE10A
SCHEMBL14499879 0.83 HTR6 (0.55) HTR6L3MBTL1AKR1C3AKR1C2EPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408845-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2024-08-07 EP disclosed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN disclosed
WO-2023052783-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-04-06 WO disclosed