SCHEMBL10340796

SCHEMBL10340796

O=S(=O)(c1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
HSD17B1 P14061 5/20 0.56
HSD17B2 P37059 5/20 0.56
LMNA P02545 2/20 0.54
ALDH1A1 P00352 3/20 0.52
CA12 O43570 1/20 0.52
CYP3A4 P08684 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
GAA P10253 3/20 0.50
MAPT P10636 1/20 0.50
HTR6 P50406 2/20 0.49
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL69135 1.00 CA2 (0.61) CA2HSD17B1HSD17B2LMNAALDH1A1
SCHEMBL31146723 1.00 CA2 (0.61) CA2HSD17B1HSD17B2LMNAALDH1A1
SCHEMBL10860256 0.98 CA2 (0.59) CA2HSD17B1HSD17B2LMNAALDH1A1
SCHEMBL10587183 0.98 CA2 (0.59) CA2HSD17B1HSD17B2LMNAALDH1A1
SCHEMBL487036 0.93 HTR6 (0.61) CA2HSD17B1HSD17B2LMNAALDH1A1
SCHEMBL1754882 0.91 HSD17B1 (0.56) CA2HSD17B1HSD17B2LMNACA12
SCHEMBL19901310 0.88 ACHE (0.59) CA2HSD17B1HSD17B2LMNAALDH1A1
SCHEMBL11880694 0.86 ALDH1A1 (0.59) CA2HSD17B1HSD17B2LMNAALDH1A1
SCHEMBL564676 0.84 GAA (0.79) CA2HSD17B1HSD17B2LMNAALDH1A1
Phenol SCHEMBL28246660 0.84 HTR6 (0.61) CA2HSD17B1HSD17B2LMNAALDH1A1

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-0220080-B1 COMPOSITIONS BASED ON PHTHALONITRILE-TERMINATED POLYARYLOXY PYRIDINE OLIGOMERS, THEIR PREPARATION, THEIR USE IN THE PREPARATION OF POLYARYLOXY PYRIDINE COPHTHALOCYANINE LATTICES AND LATTICES OBTAINED CENTRE D'ETUDE DES MATERIAUX ORGANIQUES POUR TECHNOLOGIES AVANCEES (FR) 1990-02-07 EP claimed