SCHEMBL28058052

SCHEMBL28058052

O=C(O)CCCC(=O)OC(=O)C(=O)OC(=O)CCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
SLC22A6 Q4U2R8 2/20 0.58
LMNA P02545 4/20 0.50
NFKB1 P19838 2/20 0.48
PMP22 Q01453 1/20 0.48
CAMK2A Q9UQM7 1/20 0.43
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRR2 P28476 1/20 0.42
SLC6A1 P30531 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
SCHEMBL27451286 0.95 LMNA (0.58) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL7260179 0.92 TSHR (0.60) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL29116301 0.92 TSHR (0.60) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL28588214 0.92 LMNA (0.55) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL29688998 0.90 TSHR (0.54) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL1289888 0.89 SLC22A6 (0.65) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL19925 0.89 SLC22A6 (0.65) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL7218527 0.86 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL2995384 0.86 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL28929949 0.86 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22

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-103261389-B There is the composition of detergent of anti-spotting and/or anti-film-formation result RHODIA OPERATIONS (FR) 2016-05-04 CN disclosed