SCHEMBL12409685

SCHEMBL12409685

CCC(C)C(=O)NCCCCCCNC(=O)C(F)(F)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A2 O94788 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH1A3 P47895 1/20 0.37

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
SCHEMBL12409694 0.94 GAA (0.43) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL2754931 0.82 EPHX1 (0.68) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL17527573 0.82 ALDH1A2 (0.52) EPHX1MEN1KMT2AALDH1A1GAA
SCHEMBL13456159 0.81 EPHX1 (0.47) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL12333879 0.80 EPHX1 (0.65) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10218941 0.80 EPHX1 (0.59) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL17853878 0.80 USP2 (0.50) EPHX1MEN1KMT2AALDH1A1GAA
SCHEMBL13131181 0.79 EPHX1 (0.34) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10093697 0.78 EPHX1 (0.45) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL12409698 0.78 EPHX1 (0.49) EPHX1MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378016-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20110165519-A1 RESIN SUITABLE FOR AN ACID GENERATOR AND A CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION CONTAINING THE SAME ANDO NOBUO 2011-07-07 US disclosed
US-7932334-B2 Resin suitable for an acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20070149702-A1 Resin suitable for an acid generator and a chemically amplified positive resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2007-06-28 US disclosed