SCHEMBL29798795

SCHEMBL29798795

CC1(C)Cc2ccccc2OC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PPARG P37231 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
PRNP P04156 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
MITF O75030 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
MPI P34949 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7783926 1.00 MAOA (0.43) MAOAMAOBPPARGRXFP1NCOR2
SCHEMBL2973256 0.78 MAOA (0.45) MAOAMAOBLMNANPSR1GAA
SCHEMBL18643506 0.78 MAOA (0.50) MAOAMAOBLMNANPSR1GAA
SCHEMBL31015957 0.77 MAOA (0.43) MAOAMAOBLMNANPSR1GAA
SCHEMBL28616256 0.77 MAOA (0.43) MAOAMAOBLMNANPSR1GAA
SCHEMBL31320870 0.75 AHR (0.38) LMNAMAPTALDH1A1TDP2CYP3A4
SCHEMBL22264742 0.75 AHR (0.38) LMNAMAPTALDH1A1TDP2CYP3A4
SCHEMBL29133215 0.74 MAOA (0.45) MAOAMAOBNPSR1GAASMN1; SMN2
SCHEMBL12083436 0.74 SMN1; SMN2 (0.39) MAOAMAOBGAAMAPTALDH1A1
SCHEMBL2985677 0.72 MAOA (0.35) MAOAMAOBLMNAL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110662746-B Compounds as orally administered prodrugs of beta-lactamase inhibitors, pharmaceutical compositions thereof and use for treating bacterial infections 阿里萨制药有限公司 2022-08-19 CN disclosed