SCHEMBL21769834

SCHEMBL21769834

CC1(C)OC(=O)C2(CC[S+]([O-])CC2)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
F2 P00734 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL892475 0.80 TSHR (0.39) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL21769875 0.72 CYP1A2 (0.38) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL13257188 0.69 POLB (0.43) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL22993923 0.66 KDM4E (0.39) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL25454787 0.64
SCHEMBL8080497 0.63 TSHR (0.35) TSHRKDM4EALDH1A1GAAF2
SCHEMBL1311424 0.63 TSHR (0.35) TSHR
SCHEMBL1562353 0.62 TSHR (0.38) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL12336749 0.62
SCHEMBL16768500 0.61 TSHR (0.35) POLBTSHRL3MBTL1KDM4EALDH1A1

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-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 WO disclosed