SCHEMBL25404609

SCHEMBL25404609

CC(=O)OCc1ccc(Cl)c2cc(F)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SAE1 Q9UBE0 1/20 0.33

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
SCHEMBL25406100 0.78 KDM4E (0.45) MAPTL3MBTL1GAAHTTSMN1; SMN2
SCHEMBL24946158 0.77 ALDH1A1 (0.44) NOTUMTP53CYP3A4GAAPTGS1
SCHEMBL30474198 0.76 CYP1A2 (0.31)
SCHEMBL25323515 0.76 CYP1A2 (0.31)
SCHEMBL25318358 0.76 AHR (0.31)
SCHEMBL30538815 0.74
SCHEMBL25402675 0.73 AHR (0.31)
SCHEMBL9687102 0.72 L3MBTL1 (0.61) MAPTPOLBL3MBTL1CYP3A4GAA
SCHEMBL31038589 0.72 GRIN1 (0.38) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL30538809 0.71

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-4491625-A1 BENZO BICYCLIC COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF Guangzhou Unirise Pharmaceutical Co., Ltd. (CN) 2025-01-15 EP disclosed
WO-2024041609-A1 BENZO BICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州市联瑞制药有限公司 2024-02-29 WO disclosed
WO-2023169436-A1 BENZO BICYCLIC COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 广州市联瑞制药有限公司 2023-09-14 WO disclosed