SCHEMBL4298925

SCHEMBL4298925

O=C(O)CCCC(=O)OC(=O)CCCC(=O)O.OCC(CO)(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
SLC22A6 Q4U2R8 2/20 0.48
CAMK2A Q9UQM7 1/20 0.42
LMNA P02545 3/20 0.42
NFKB1 P19838 2/20 0.40
PMP22 Q01453 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 3/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 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
SCHEMBL2593466 0.89 TSHR (0.41) TSHRSLC22A6CAMK2ALMNANFKB1
SCHEMBL1289888 0.86 SLC22A6 (0.65) TSHRSLC22A6CAMK2ALMNANFKB1
SCHEMBL19925 0.86 SLC22A6 (0.65) TSHRSLC22A6CAMK2ALMNANFKB1
Glutarate SCHEMBL28137348 0.86 SLC22A6 (0.65) TSHRSLC22A6CAMK2ALMNANFKB1
SCHEMBL7218527 0.84 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL8581028 0.84 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL2995384 0.84 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL1602470 0.84 SLC22A6 (0.61) TSHRSLC22A6CAMK2ALMNANFKB1
SCHEMBL28929949 0.84 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22
Ammonia Solution, Strong SCHEMBL8041259 0.84 SLC22A6 (0.61) TSHRSLC22A6CAMK2ALMNANFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049166-A2 MOISTURE ACTIVATED LATENT CURING ADHESVE OR SEALANT Ethicon, Inc (US) 2009-04-22 EP disclosed
EP-2049167-A1 MOISTURE ACTIVATED LATENT CURING ADHESIVE OR SEALANT Ethicon, Inc (US) 2009-04-22 EP disclosed
WO-2008021846-A1 MOISTURE ACTIVATED LATENT CURING ADHESIVE OR SEALANT ETHICON, INC. (US) 2008-02-21 WO disclosed
WO-2008019383-A2 MOISTURE ACTIVATED LATENT CURING ADHESVE OR SEALANT ETHICON, INC. (US) 2008-02-14 WO disclosed