SCHEMBL3885344

SCHEMBL3885344

O=C1OC(c2ccccc2)(S(=O)(=O)O)c2c1cccc2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BCAT2 O15382 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
PTGS2 P35354 1/20 0.33
PKM P14618 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
SCHEMBL3959512 0.75 CFTR (0.38) CFTRGOPCGAASMN1; SMN2MAPT
SCHEMBL4258727 0.74 CFTR (0.59) CFTRGOPCGAASMN1; SMN2MAPT
SCHEMBL3885343 0.68 CFTR (0.51) CFTRGOPCGAASMN1; SMN2MAPT
SCHEMBL11014508 0.67 CFTR (0.39) CFTRGOPCGAASMN1; SMN2MAPT
Sulfuric Acid SCHEMBL28507654 0.63 HNF4A (0.48) SMN1; SMN2MAPTALDH1A1HDAC4HDAC2
SCHEMBL21794264 0.63 TSHR (0.46) SMN1; SMN2ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL27615436 0.62 PTGS2 (0.65) SMN1; SMN2ALDH1A1HDAC4HDAC2HDAC8
Sulfuric Acid SCHEMBL8638811 0.61 ALDH1A1 (0.54) GAAMAPTALDH1A1HDAC4HDAC2
Sulfuric Acid SCHEMBL29279046 0.61 ALDH1A1 (0.56) SMN1; SMN2MAPTALDH1A1HDAC4HDAC2
2-Phenylphenol SCHEMBL10636675 0.59 ALDH1A1 (0.77) ALDH1A1HDAC4HDAC2HDAC8HDAC6

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-2014735-A2 POLYMER ANISOTROPIC ELECTROCONDUCTIVE GLUING MATERIAL AND A GLUING METHOD Koltsova, Anastasia Adrianovna (RU) 2009-01-14 EP disclosed