SCHEMBL14016347

SCHEMBL14016347

CCOC(=O)CC(C#N)(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL15451360 0.93 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL15437899 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2638021 0.87 MMP8 (0.43) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL28512089 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL28464690 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4382740 0.84 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL1963 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4380430 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4377134 0.82 MMP8 (0.36) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL15437624 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013121018-A1 SYNTHESIS OF CYANOCARBOXYLIC ACID ALKYL ESTERS LONZA LTD (CH) 2013-08-22 WO disclosed
WO-2013121017-A1 PROCESS AND EQUIPMENT FOR THE PREPARATION OF HALOCARBOXYLIC ACID ALKYL ESTERS LONZA LTD (CH) 2013-08-22 WO disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
WO-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO disclosed