SCHEMBL11394641

SCHEMBL11394641

C=CC(OC(C)S(=O)(=O)O)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TSHR P16473 1/20 0.38
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
POLB P06746 1/20 0.32
ACHE P22303 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
SCHEMBL1021604 0.74 GABRA1 (0.47) GABRA1GABRB2TSHRCA1CA2
SCHEMBL10609449 0.73 GABRA1 (0.41) GABRA1GABRB2TSHRCA2CA12
SCHEMBL3478188 0.70 GABRA1 (0.38) GABRA1GABRB2TSHRCA1CA2
SCHEMBL460584 0.70 TSHR (0.47) GABRA1GABRB2TSHRCA1CA2
SCHEMBL27373607 0.70 GABRA1 (0.56) GABRA1GABRB2TSHRCA1CA2
Phenolsulphonic Acid SCHEMBL27702834 0.70 KMT2A (0.36) GABRA1GABRB2CA1CA2CA12
SCHEMBL10507496 0.68 GABRA1 (0.58) GABRA1GABRB2TSHRCA1CA2
SCHEMBL9741552 0.67 GABRA1 (0.42) GABRA1GABRB2TSHRCA1CA2
SCHEMBL27880591 0.67 GABRA1 (0.75) GABRA1GABRB2TSHRCA1CA2
SCHEMBL19469326 0.66 GABRA1 (0.48) GABRA1GABRB2TSHRCA2CA12

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-0052069-A1 Red pigments CIBA-GEIGY AG (CH) 1982-05-19 EP disclosed