SCHEMBL13617344

SCHEMBL13617344

CCCC(CCCC(=O)OC(C)(C)C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
CA12 O43570 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 1/20 0.34
STAT3 P40763 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
NR1D1 P20393 1/20 0.34
CA1 P00915 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA7 P43166 1/20 0.34
MMP13 P45452 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
SIRT5 Q9NXA8 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
SCHEMBL2151200 0.82 CA12 (0.49) ALDH1A1CA12CA2CA9STAT3
SCHEMBL3117255 0.81 CA12 (0.36) KMT2AMEN1ALDH1A1TSHRCA12
SCHEMBL3116629 0.81 CA12 (0.36) KMT2AMEN1ALDH1A1TSHRCA12
SCHEMBL3833448 0.81 CA12 (0.36) KMT2AMEN1ALDH1A1TSHRCA12
SCHEMBL7213256 0.81 CA12 (0.36) KMT2AMEN1ALDH1A1TSHRCA12
SCHEMBL3483301 0.80 PSMD10 (0.41) KMT2AMEN1ALDH1A1CA12CA2
SCHEMBL4290352 0.79 CA12 (0.47) ALDH1A1CA12CA2CA9STAT3
SCHEMBL3122917 0.79 PLA2G2C (0.34) KMT2AMEN1ALDH1A1TSHRCA12
SCHEMBL18530452 0.78 PSMD10 (0.40) KMT2AMEN1ALDH1A1CA12CA2
SCHEMBL8724738 0.78 STAT3 (0.36) KMT2AMEN1ALDH1A1TSHRSTAT3

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
EP-1943240-B1 CHEMICAL PROCESS ASTRAZENECA AB (SE) 2009-11-11 EP disclosed