SCHEMBL23106943

SCHEMBL23106943

O=C(/C=C/N1CCCC1=O)C(=O)/C=C/N1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL14314391 0.86 BLM (0.47) BLMTSHRLMNAKMT2ABRD4
SCHEMBL7064387 0.86 BLM (0.47) BLMTSHRLMNAKMT2ABRD4
Hydrogen Peroxide SCHEMBL15262924 0.86 BLM (0.47) BLMTSHRLMNAKMT2ABRD4
SCHEMBL2489555 0.84 TSHR (0.47) BLMTSHRLMNAKMT2ABRD4
SCHEMBL5815717 0.80 NFE2L2 (0.42) BLMTSHRLMNAKMT2ABRD4
Acrylic Acid SCHEMBL27540229 0.80 BLM (0.43) BLMTSHRLMNAKMT2ABRD4
SCHEMBL7646912 0.78
SCHEMBL7109892 0.78
SCHEMBL1177989 0.77 TSHR (0.34) BLMTSHRLMNAKMT2A
SCHEMBL487516 0.77 KMT2A (0.35) BLMTSHRLMNAKMT2AHTT

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
WO-2021049255-A1 LIQUID CRYSTAL ORIENTATION AGENT, LIQUID CRYSTAL ORIENTATION FILM, AND LIQUID CRYSTAL ELEMENT JSR株式会社 2021-03-18 WO disclosed