SCHEMBL29755671

SCHEMBL29755671

O=C(O)C1CCCC2C1CCCC2C1CCCC2C(C(=O)O)CCCC21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.46
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRR1 P24046 1/20 0.38
ACE P12821 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SLC1A2 P43004 1/20 0.36

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
SCHEMBL127949 0.97 PEPD (0.48) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL11896394 0.92 PEPD (0.45) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL1409920 0.92 MEN1 (0.44) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL29755757 0.86 GABRR1 (0.42) MEN1BLMKMT2AGABRR1SLC1A2
SCHEMBL2142032 0.86 GABRR1 (0.46) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL7735491 0.85 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL22324733 0.85 PEPD (0.37) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL11695757 0.84 PEPD (0.43) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL10554861 0.83 GABRR1 (0.43) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL7734513 0.82 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1

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-2022158123-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER COMPRISING SAME 帝人株式会社 2022-07-28 WO disclosed