SCHEMBL8525995

SCHEMBL8525995

C=C(CCCC)C(=O)OCCC.C=C(CCCO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ACHE P22303 7/20 0.33
TBXAS1 P24557 2/20 0.33
DGKA P23743 1/20 0.33
HPGD P15428 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1138993 0.90 TSHR (0.43) TSHRACHEDGKAHPGDHCAR2
SCHEMBL8678908 0.88 TSHR (0.51) TSHRACHETBXAS1HCAR2ALDH1A1
SCHEMBL16208006 0.87 TSHR (0.44) TSHRTBXAS1DGKAHPGDHCAR2
SCHEMBL3477341 0.87 TSHR (0.50) TSHRACHEDGKAHPGDHCAR2
Dimethylamine SCHEMBL27935350 0.85 TSHR (0.40) TSHRACHEDGKAHPGDHCAR2
SCHEMBL31390461 0.85 TSHR (0.50) TSHRACHEDGKAHPGDALDH1A1
SCHEMBL1648944 0.85 TBXAS1 (0.37) TSHRTBXAS1CAMK2A
SCHEMBL3458520 0.85 TBXAS1 (0.37) TSHRTBXAS1CAMK2A
SCHEMBL31390459 0.83 TSHR (0.53) TSHRACHEHPGDALDH1A1SMN1; SMN2
SCHEMBL1651672 0.83 TBXAS1 (0.40) TSHRACHETBXAS1ALDH1A1CAMK2A

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-0774500-B1 One-coat, waterborne coating system for untreated polypropylene-based substrates BEE CHEMICAL CO (US) 1998-12-30 EP disclosed