SCHEMBL9756806

SCHEMBL9756806

CCC(=O)OC[C@H](C)CO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.39
KDM4E B2RXH2 1/20 0.39
DUSP3 P51452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
NAAA Q02083 1/20 0.39
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL9756817 1.00 PRKCA (0.39) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL9756907 0.88 NAAA (0.43) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL14430649 0.84 LMNA (0.44) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL21143390 0.84 MGAM (0.44) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL2854978 0.84 MAPT (0.47) KDM4EDUSP3LMNANAAAMAPT
SCHEMBL30320231 0.84 MAPT (0.47) KDM4EDUSP3LMNANAAAMAPT
SCHEMBL2251000 0.83 LMNA (0.49) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL9756895 0.83 LMNA (0.49) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL19106906 0.82 MGAM (0.42) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL2877928 0.80 ALDH1A1 (0.38) PRKCAKDM4EDUSP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316374-B1 OPTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-07-31 EP claimed
EP-0316374-A1 OPTICALLY ACTIVE COMPOUNDS. HOFFMANN LA ROCHE (CH) 1989-05-24 EP claimed
WO-1988008838-A1 OPTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1988-11-17 WO claimed