SCHEMBL28213872

SCHEMBL28213872

CCC(=O)COC(=O)CCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.59
DGKA P23743 1/20 0.54
TSHR P16473 3/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
DNM1 Q05193 1/20 0.44
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41

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
SCHEMBL11312957 0.98 PAM (0.55) PAMDGKATSHRMAPTLMNA
SCHEMBL2929543 0.91 PAM (0.66) PAMDGKATSHRMAPTLMNA
SCHEMBL28852385 0.89 PAM (0.57) PAMDGKATSHRMAPTLMNA
SCHEMBL19944379 0.84 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL8041026 0.84 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL3004307 0.84 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL19940077 0.84 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL3924509 0.84 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL1901901 0.84 PAM (0.74) PAMDGKATSHRMAPTLMNA
SCHEMBL17237693 0.84 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-107954858-A A kind of crystal form of heneicosanedioic acid and preparation method thereof 天津大学 2018-04-24 CN disclosed