SCHEMBL28852385

SCHEMBL28852385

CCCCC(=O)OCC(=O)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.57
DGKA P23743 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NAAA Q02083 1/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL2929543 0.94 PAM (0.66) PAMDGKATSHRMAPTLMNA
SCHEMBL29948119 0.91 PAM (0.61) PAMDGKAL3MBTL1TSHRMAPT
SCHEMBL11312957 0.91 PAM (0.55) PAMDGKATSHRMAPTLMNA
SCHEMBL28213872 0.89 PAM (0.59) PAMDGKATSHRMAPTLMNA
SCHEMBL16907299 0.86 ALDH1A1 (0.56) PAMDGKATSHRMAPTALDH1A1
SCHEMBL1901901 0.83 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL3924509 0.83 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL3004307 0.83 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL8041026 0.83 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL17237693 0.83 PAM (0.74) PAMDGKATSHRMAPTLMNA

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
CN-110462396-B Method for determining film-forming amines 栗田工业株式会社 2022-09-30 CN disclosed