SCHEMBL9752599

SCHEMBL9752599

CC(C)N1C[C@@H](COCc2ccccc2)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HTR2B P41595 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
GRM2 Q14416 9/20 0.43
PTPN1 P18031 2/20 0.42
CDC25B P30305 1/20 0.42
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTSC P53634 1/20 0.39
CTSF Q9UBX1 1/20 0.39

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
SCHEMBL16590449 0.82 GRM2 (0.60) HTR2BGRM2
SCHEMBL3372293 0.81 GRM2 (0.63) HTR2BL3MBTL1GRM2MAPK1
SCHEMBL14168333 0.81 HTR2B (0.43) HTR2BGRM2
SCHEMBL15375475 0.80 LMNA (0.55) LMNAL3MBTL1GRM2PTPN1CDC25B
SCHEMBL15375553 0.80 LMNA (0.55) LMNAL3MBTL1GRM2PTPN1CDC25B
SCHEMBL15375474 0.80 LMNA (0.55) LMNAL3MBTL1GRM2PTPN1CDC25B
SCHEMBL2823472 0.78 GRM2 (0.68) LMNAGRM2
SCHEMBL7911772 0.78 HTR2B (0.50) HTR2BL3MBTL1GRM2MAPK1
SCHEMBL4929838 0.78 HTR2B (0.50) HTR2BL3MBTL1GRM2MAPK1
SCHEMBL8857703 0.76 LMNA (0.37) LMNAHTR2BL3MBTL1GRM2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3044380-A None JP disclosed
JP-H0344380-A OPTICALLY ACTIVE AMINO COMPOUND AND PRODUCTION THEREOF DAISO CO LTD 1991-02-26 JP disclosed