SCHEMBL21769875

SCHEMBL21769875

CC1(C)OC(=O)C2(CCSCC2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
F2 P00734 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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 0.85 TSHR (0.39) CYP1A2POLBTSHRL3MBTL1KDM4E
SCHEMBL13257188 0.74 POLB (0.43) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL21769834 0.72 POLB (0.33) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL22993923 0.70 KDM4E (0.39) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL1311424 0.67 TSHR (0.35) TSHR
SCHEMBL8080497 0.67 TSHR (0.35) TSHRKDM4EALDH1A1GAAF2
SCHEMBL1562353 0.66 TSHR (0.38) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL16768500 0.65 TSHR (0.35) CYP1A2POLBTSHRL3MBTL1KDM4E
SCHEMBL8534649 0.64 ALDH1A1 (0.48) POLBTSHRL3MBTL1KDM4EALDH1A1
SCHEMBL9687982 0.64 PTPN1 (0.36) POLBTSHRKDM4ELMNA

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