SCHEMBL23606754

SCHEMBL23606754

CC(N[C@H](C)c1ccccc1)C1CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
RECQL P46063 1/20 0.35
C5AR1 P21730 2/20 0.34
PYGL P06737 1/20 0.34
CYP2C9 P11712 1/20 0.34
ACP3 P15309 2/20 0.34
PRCP P42785 1/20 0.33
EPHX1 P07099 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
SCHEMBL24129831 0.81 GAA (0.52) L3MBTL1GAAKMT2ALMNASIGMAR1
SCHEMBL23581390 0.80 SIGMAR1 (0.43) ALDH1A1KMT2ALMNAHTTSIGMAR1
SCHEMBL384908 0.79 L3MBTL1 (0.61) SMN1; SMN2L3MBTL1GAAALDH1A1KMT2A
SCHEMBL1455667 0.79 L3MBTL1 (0.61) SMN1; SMN2L3MBTL1GAAALDH1A1KMT2A
SCHEMBL17605918 0.78 GAA (0.58) L3MBTL1GAAKMT2ALMNAHPGD
SCHEMBL1915296 0.78 GAA (0.62) L3MBTL1GAAKMT2ALMNAHPGD
SCHEMBL27877893 0.78 GAA (0.62) L3MBTL1GAAKMT2ALMNAHPGD
SCHEMBL24625629 0.77 GAA (0.61) L3MBTL1GAAKMT2ALMNAHPGD
SCHEMBL28546994 0.77 GAA (0.61) L3MBTL1GAAKMT2ALMNAHPGD
SCHEMBL8990452 0.74 TSHR (0.43) SMN1; SMN2L3MBTL1ALDH1A1KMT2ATSHR

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
WO-2021129629-A1 ZESTE ENHANCER HOMOLOGUE 2 INHIBITOR AND USE THEREOF 四川海思科制药有限公司 2021-07-01 WO disclosed