SCHEMBL9664436

SCHEMBL9664436

CC(=O)c1ccc(Oc2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
MAPT P10636 3/20 0.68
RAB9A P51151 1/20 0.68
ESRRA P11474 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
STS P08842 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PARP10 Q53GL7 2/20 0.42
KMT2A Q03164 2/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL31256698 0.89 MAPK1 (0.47) HPGDMAPTRAB9AL3MBTL1GAA
SCHEMBL17907419 0.82 ALDH1A1 (0.38) HPGDMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL203697 0.82 HPGD (1.00) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL3301210 0.82 HPGD (1.00) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL11233742 0.78 KMT2A (0.54) HPGDMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9789228 0.77 MAPT (0.86) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL9999838 0.75 MAPT (0.83) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL903435 0.75 MAPT (0.83) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL20710436 0.75 LTA4H (0.52) SMN1; SMN2TSHRHTTLMNAMMP13
SCHEMBL16841481 0.75 TEAD4 (0.50) HPGDMAPTRAB9AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324472-B1 KETENEDITHIOACETAL DERIVATIVES AND PROCESSES FOR PRODUCING THE SAME AS WELL AS A COMPOSITION CONTAINING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-5098928-A Antilipemic agents and treatment of arteriosclerosis NIHON NOHYAKU CO., LTD. (JP) 1992-03-24 US disclosed
EP-0324472-A2 Ketenedithioacetal derivatives and processes for producing the same as well as a composition containing the same NIHON NOHYAKU CO., LTD. (JP) 1989-07-19 EP disclosed