SCHEMBL22879664

SCHEMBL22879664

OCCOCCOCCOCCOCCOCCOc1ccc(C2(c3ccc(OCCOCCOCCOCCOCCO)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.46
APP P05067 5/20 0.46
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ALK Q9UM73 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13325392 1.00 PDK2 (0.46) PDK2APPMEN1LMNAKMT2A
SCHEMBL29602089 1.00 PDK2 (0.46) PDK2APPMEN1LMNAKMT2A
SCHEMBL29502159 0.99 PDK2 (0.48) PDK2APPMEN1LMNAKMT2A
SCHEMBL21215135 0.99 PDK2 (0.48) PDK2APPMEN1LMNAKMT2A
SCHEMBL21215152 0.97 ALDH1A1 (0.49) PDK2APPMEN1LMNAKMT2A
SCHEMBL21215203 0.97 PDK2 (0.49) PDK2APPMEN1LMNAKMT2A
SCHEMBL21215133 0.94 ALDH1A1 (0.53) PDK2APPMEN1LMNAKMT2A
SCHEMBL29502223 0.94 ALDH1A1 (0.53) PDK2APPMEN1LMNAKMT2A
SCHEMBL13827368 0.93 PDK2 (0.41) PDK2APPMEN1LMNAKMT2A
SCHEMBL22886688 0.93 MEN1 (0.44) PDK2APPMEN1LMNAKMT2A

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
WO-2021005914-A1 CURED OBJECT, OVERCOAT FILM, AND FLEXIBLE WIRING BOARD 日本ポリテック株式会社 2021-01-14 WO disclosed
WO-2021005912-A1 POLYURETHANE AND CURABLE COMPOSITION 日本ポリテック株式会社 2021-01-14 WO disclosed