SCHEMBL4131884

SCHEMBL4131884

C=COCCOc1ccc(S(=O)(=O)c2ccc(OCCOC=C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
CA7 P43166 4/20 0.45
PKM P14618 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL4137336 0.91 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL4868644 0.86 TDP1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL4355604 0.86 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL939924 0.86 CA12 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL4355608 0.85 TDP1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL939926 0.85 TDP1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL419937 0.84 THRB (0.41) ALDH1A1PKMMAPK1MAPTHTT
SCHEMBL4866300 0.83 CA12 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL24593452 0.82 CA12 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL13671024 0.81 PTPN1 (0.48) ALDH1A1CA12CA1CA2CA9

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
US-20090068569-A1 Resin composition for hologram recording material, hologram recording material, and method for producing hologram recording medium NIPPON PAINT CO., LTD. 2009-03-12 US disclosed