SCHEMBL30458192

SCHEMBL30458192

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 1/20 0.43
EPHX1 P07099 1/20 0.42
ICMT O60725 2/20 0.39
PDE10A Q9Y233 1/20 0.39
PLK1 P53350 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL29228913 1.00 HTR6 (0.55) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL30458273 0.90 L3MBTL1 (0.51) HTR6L3MBTL1EPHX1PDE10APLK1
SCHEMBL18036681 0.90 L3MBTL1 (0.51) HTR6L3MBTL1EPHX1PDE10APLK1
SCHEMBL30458162 0.89 HTR6 (0.54) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL14499879 0.87 HTR6 (0.55) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL3220344 0.85 L3MBTL1 (0.56) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL23218891 0.85 HTR6 (0.55) HTR6L3MBTL1AKR1C3EPHX1PDE10A
SCHEMBL29591721 0.85 HTR6 (0.55) HTR6L3MBTL1AKR1C3EPHX1PDE10A
SCHEMBL3051164 0.84 HTR6 (0.46) HTR6L3MBTL1AKR1C3AKR1C2EPHX1
SCHEMBL6388589 0.84 HTR6 (0.53) 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