SCHEMBL6017176

SCHEMBL6017176

C=CCOS(=O)(=O)O.CCCCCCCCCCCC[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CA1 P00915 8/20 0.34
CA2 P00918 8/20 0.34
CA9 Q16790 7/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
FAAH O00519 3/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33

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
Tetradecane SCHEMBL476482 0.91 TSHR (0.50) TSHRZDHHC20ZDHHC2CA1CA2
SCHEMBL27463953 0.85 CA1 (0.47) TSHRCA1CA2CA9CA12
Sulfuric Acid SCHEMBL27715126 0.85 TSHR (0.45) TSHRZDHHC20ZDHHC2CA1CA2
SCHEMBL28208859 0.84 TSHR (0.30) TSHR
SCHEMBL1426857 0.83 CA1 (0.46) TSHRCA1CA2CA9CA12
Sulfuric Acid SCHEMBL28087109 0.82 TSHR (0.42) TSHRZDHHC20CA1CA2CA9
SCHEMBL2490189 0.81 TSHR (0.41) TSHRCA1CA2CA9CA12
Dodecanoate SCHEMBL29080295 0.81 GPR84 (0.53) TSHRRECQLBLM
SCHEMBL27740783 0.80 CA1 (0.39) TSHRCA1CA2CA9CA12
SCHEMBL27959119 0.80 CA1 (0.39) TSHRCA1CA2CA9CA12

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
WO-2006133791-A2 FABRIC CONDITIONING COMPOSITION AND USE UNILEVER PLC (GB) 2006-12-21 WO disclosed