SCHEMBL10588671

SCHEMBL10588671

C=C(CCOC(=O)CCCCCCC)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.67
PAM P19021 2/20 0.56
DNM1 Q05193 1/20 0.56
TSHR P16473 1/20 0.53
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
NAAA Q02083 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2C P28335 1/20 0.46
THRB P10828 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44

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
SCHEMBL16550700 0.98 DGKA (0.63) DGKAPAMDNM1TSHRPRSS1
SCHEMBL10426042 0.92 DGKA (0.65) DGKAPAMDNM1TSHRPRSS1
SCHEMBL11973845 0.86 HTR2C (0.58) DGKAPAMDNM1TSHRPRSS1
SCHEMBL11027815 0.85 TSHR (0.50) DGKAPAMTSHRALDH1A1MEN1
SCHEMBL2121930 0.84 DGKA (0.44) DGKAPAMDNM1TSHRPRSS1
SCHEMBL9398068 0.82 DGKA (0.71) DGKAPAMDNM1TSHRPRSS1
SCHEMBL9264021 0.82 DGKA (0.77) DGKAPAMDNM1TSHRMAPT
SCHEMBL11667303 0.82 DGKA (0.77) DGKAPAMDNM1TSHRMAPT
SCHEMBL9268187 0.82 DGKA (0.77) DGKAPAMDNM1TSHRMAPT
SCHEMBL3504664 0.82 DGKA (0.77) DGKAPAMDNM1TSHRMAPT

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
EP-0316918-A2 Capryloyloxyalkyl acrylates, polymers and copolymers thereof and their preparation Ceskoslovenska akademie ved (CS) 1989-05-24 EP disclosed