SCHEMBL16759728

SCHEMBL16759728

CCOC(=O)C1(C(=O)OC(C)(C)C)NCCC1OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 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
SCHEMBL6078331 0.73 LMNA (0.38) GAASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6078736 0.70 GAA (0.36) GAASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL26694795 0.69 MAPT (0.36) GAASMN1; SMN2ALDH1A1POLB
SCHEMBL6076839 0.68 SMN1; SMN2 (0.35) GAASMN1; SMN2MEN1KMT2APOLB
SCHEMBL15074964 0.66 OPRM1 (0.47) MEN1KMT2APOLB
SCHEMBL9675417 0.66 SMN1; SMN2 (0.41) GAASMN1; SMN2MEN1KMT2APOLB
SCHEMBL25348114 0.66 MEN1 (0.34) GAASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL30782508 0.66 MEN1 (0.34) GAASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL25349844 0.66 MEN1 (0.34) GAASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL25348791 0.65 LMNA (0.37) GAASMN1; SMN2MEN1ALDH1A1KMT2A

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
EP-3074386-A1 NOVEL AMINO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2016-10-05 EP disclosed
WO-2015079417-A1 NOVEL AMINO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-06-04 WO disclosed