SCHEMBL11278627

SCHEMBL11278627

O=S(=O)(O)CCCOc1ccccc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
PKM P14618 2/20 0.52
LTA4H P09960 1/20 0.51
ALDH1A1 P00352 5/20 0.50
RECQL P46063 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL5704316 0.98 KCNA3 (0.58) KCNA3PKMLTA4HALDH1A1RECQL
SCHEMBL10575521 0.96 KCNA3 (0.56) KCNA3PKMLTA4HALDH1A1RECQL
Hydrochloric Acid SCHEMBL28242333 0.96 KCNA3 (0.56) KCNA3PKMLTA4HALDH1A1RECQL
Potassium SCHEMBL30271300 0.96 KCNA3 (0.56) KCNA3PKMLTA4HALDH1A1RECQL
SCHEMBL1172042 0.94 KCNA3 (0.59) KCNA3PKMLTA4HALDH1A1RECQL
SCHEMBL5704307 0.92 KCNA3 (0.61) KCNA3PKMLTA4HALDH1A1RECQL
SCHEMBL6734325 0.91 KCNA3 (0.59) KCNA3PKMLTA4HALDH1A1RECQL
SCHEMBL3364133 0.90 KCNA3 (0.52) KCNA3PKMLTA4HALDH1A1RECQL
SCHEMBL9813979 0.90 PKM (0.50) KCNA3PKMLTA4HALDH1A1RECQL
SCHEMBL4639243 0.88 KCNA3 (0.54) KCNA3PKMLTA4HALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54097652-A None JP disclosed
US-4316838-A SALT OF AN ETHER SULFONATE TEIJIN CHEMICALS LTD. (JP) 1982-02-23 US disclosed
US-4222910-A SULFURIC ESTER OF AN ALCOHOL OR A METAL SULFONATE COMPOUND TEIJIN CHEMICALS, LTD. (JP) 1980-09-16 US disclosed
JP-S5497652-A FLAME RETARDANT POLYCARBONATE RESIN COMPOSITION TEIJIN CHEM LTD 1979-08-01 JP disclosed