SCHEMBL11044540

SCHEMBL11044540

O=C(O)CCCCC(=O)OCCCC(O)CC(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGKA P23743 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.36
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
PAM P19021 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29019999 0.86 DGKA (0.42) FFAR4FFAR1ALDH1A1DGKANPC1
SCHEMBL536514 0.83 FFAR4 (0.50) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL28334180 0.81 LMNA (0.49) DGKALMNATSHRNFKB1PMP22
SCHEMBL15512522 0.79 MAPT (0.46) FFAR4FFAR1ALDH1A1DGKANPC1
SCHEMBL1104267 0.79 FFAR4 (0.49) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL29110916 0.79 FFAR4 (0.49) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL536981 0.79 FFAR4 (0.53) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL21694923 0.78 MAPT (0.49) FFAR4FFAR1ALDH1A1DGKALMNA
SCHEMBL25186754 0.78 DGKA (0.48) ALDH1A1L3MBTL1DGKALMNATSHR
SCHEMBL189732 0.78 LMNA (0.55) FFAR4FFAR1ALDH1A1DGKANPC1

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
US-4476253-A Process for the preparation of polyurethane elastomers using diols of the anhydro-tetritol series BAYER AKTIENGESELLSCHAFT (DE) 1984-10-09 US disclosed