SCHEMBL12205992

SCHEMBL12205992

C[C@@H]1C(=O)N(CCc2ccccc2)C(=O)[C@@H]1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GSK3A P49840 2/20 0.58
GSK3B P49841 2/20 0.58
MGLL Q99685 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 4/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 1/20 0.51
ALOX12 P18054 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CASP3 P42574 1/20 0.50
PARK7 Q99497 2/20 0.49

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
SCHEMBL10159083 0.81 KMT2A (0.59) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL9975770 0.80 KMT2A (0.66) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL10031595 0.80 KMT2A (0.66) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL18181914 0.78 GAA (0.64) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL7382903 0.77 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL1101922 0.77 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL7382899 0.77 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL22235758 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL11704244 0.74 EHMT2 (0.53) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL211905 0.74 GSK3A (1.00) ALDH1A1MEN1KMT2AGSK3AGSK3B

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
US-8978554-B2 Alkali soluble resin AGFA GRAPHICS N.V. (BE) 2015-03-17 US disclosed
US-20110247516-A1 New Alkali Soluble Resin AGFA GRAPHICS NV (BE) 2011-10-13 US disclosed