SCHEMBL4355604

SCHEMBL4355604

C=COCCOc1ccc(S(=O)(=O)[O-])cc1.C=COCCOc1ccc(S(=O)(=O)[O-])cc1.[Mg+2]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.42
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA9 Q16790 8/20 0.42
CA7 P43166 5/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA4 P22748 3/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL939924 0.97 CA12 (0.42) CA12CA1CA2CA9CA7
SCHEMBL3919025 0.87 CA12 (0.40) CA12CA1CA2CA9CA7
SCHEMBL4131884 0.86 ALDH1A1 (0.47) CA12CA1CA2CA9CA7
SCHEMBL4868644 0.83 TDP1 (0.46) CA12CA1CA2CA9CA7
SCHEMBL4355608 0.82 TDP1 (0.44) CA12CA1CA2CA9CA7
SCHEMBL939926 0.82 TDP1 (0.44) CA12CA1CA2CA9CA7
SCHEMBL419937 0.82 THRB (0.41) ALDH1A1MAPK1MAPTHTTTHRB
SCHEMBL4866300 0.81 CA12 (0.41) CA12CA1CA2CA9CA7
SCHEMBL24593452 0.79 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL13671024 0.78 PTPN1 (0.48) CA12CA1CA2CA9CA7

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
US-7538147-B2 Image forming method, pattern forming method and liquid-applying apparatus which make use of liquid compositions CANON KABUSHIKI KAISHA (JP) 2009-05-26 US disclosed
US-20060221117-A1 Image forming method, pattern forming method and liquid-applying apparatus which make use of liquid compositions CANON KABUSHIKI KAISHA (JP) 2006-10-05 US disclosed
US-20060100310-A1 Image forming method, and set of ink compositions and image forming apparatus, which are applicable to the image forming method CANON KABUSHIKI KAISHA (JP) 2006-05-11 US disclosed