SCHEMBL9402276

SCHEMBL9402276

[O]C(CC(=O)O)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
FFAR3 O14843 1/20 0.44
MAPT P10636 1/20 0.43
GABRR1 P24046 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.42
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 1/20 0.40
CACNA1C Q13936 1/20 0.40
PGR P06401 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
FOLH1 Q04609 1/20 0.39
GPR84 Q9NQS5 3/20 0.39

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
SCHEMBL8488074 0.87
SCHEMBL4745901 0.79
SCHEMBL6448801 0.76
SCHEMBL14159078 0.76
SCHEMBL3714954 0.76
SCHEMBL364463 0.76
3-Methylbutanoic Acid SCHEMBL1331498 0.74
SCHEMBL707742 0.74
SCHEMBL258152 0.74 SLC22A6 (0.50) TSHRSLC22A6TDP1SMN1; SMN2FFAR3
SCHEMBL304303 0.74 SLC22A6 (0.50) TSHRSLC22A6TDP1SMN1; SMN2FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334709-A Fiber-reactive dyes for cellulose materials, wool, polyamides; deep shades HOECHST AG (DE) 1994-08-02 US disclosed
EP-0548795-A2 Water-soluble reactive dyes, their manufacture and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed