SCHEMBL25337402

SCHEMBL25337402

Cc1ccc(CC(=O)NCC2COc3ccccc3O2)cc1C

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 11/20 0.76
CYP1A2 P05177 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
CYP3A4 P08684 1/20 0.75
ALDH1A1 P00352 2/20 0.71
MTNR1A P48039 1/20 0.62
TSHR P16473 2/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
PKM P14618 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL25336583 0.86 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337575 0.86 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25338050 0.83 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337602 0.83 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337553 0.81 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337323 0.80 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25338031 0.80 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25336924 0.78 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22393113 0.78 HPGD (0.76) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25335937 0.78 ALDH1A1 (0.75) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19

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
WO-2023146244-A1 BENZODIOXANE DERIVATIVE COMPOUNDS AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-08-03 WO claimed
WO-2023146244-A1 BENZODIOXANE DERIVATIVE COMPOUNDS AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-08-03 WO disclosed
WO-2023146244-A1 BENZODIOXANE DERIVATIVE COMPOUNDS AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-08-03 WO disclosed