SCHEMBL27862004

SCHEMBL27862004

O=S(=O)(OCCO)Oc1ccccc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NFE2L2 Q16236 1/20 0.37
STS P08842 2/20 0.35
KCNA3 P22001 1/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.34
LTA4H P09960 1/20 0.33
CA12 O43570 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL27603564 0.98 ALDH1A1 (0.50) ALDH1A1RECQLCA1CA2CA9
SCHEMBL779024 0.83 CA1 (0.45) ALDH1A1RECQLCA1CA2CA9
SCHEMBL27394660 0.81 CA1 (0.44) CA1CA2CA9KMT2AMEN1
Ethylene Glycol SCHEMBL15988156 0.80 CA1 (0.42) ALDH1A1RECQLCA1CA2CA9
SCHEMBL10442793 0.79 CA1 (0.45) CA1CA2CA9KMT2AMEN1
SCHEMBL4336610 0.79 CA1 (0.45) CA1CA2CA9KMT2AMEN1
Biphenyl SCHEMBL11771760 0.79 ALDH1A1 (0.48) ALDH1A1RECQLCA1CA2CA9
SCHEMBL28075405 0.77 CA2 (0.61) CA1CA2CA9KMT2AMEN1
SCHEMBL28874669 0.77 CA2 (0.61) CA1CA2CA9KMT2AMEN1
SCHEMBL777279 0.76 LTA4H (0.50) ALDH1A1RECQLCA1CA2CA9

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
CN-102575414-B Polyester fiber and manufacture method, cloth and silk, fibre, polyester molded article TEIJIN FRONTIER Co.,Ltd. (JP) 2015-08-19 CN disclosed
CN-102575414-A Polyester fibers, process for production of the polyester fibers, cloth, fiber product, and polyester molded article TEIJIN FIBERS LTD 2012-07-11 CN disclosed