SCHEMBL10179869

SCHEMBL10179869

CCCCOCCCCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.63
LTA4H P09960 3/20 0.59
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
TSHR P16473 2/20 0.55
CA7 P43166 2/20 0.55
GAA P10253 3/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ELANE P08246 1/20 0.48

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
SCHEMBL10908907 0.95 LTA4H (0.57) NR5A1LTA4HCA12CA1CA2
SCHEMBL6686535 0.94 NR5A1 (0.72) NR5A1LTA4HCA12CA1CA2
SCHEMBL311853 0.94 LTA4H (0.66) NR5A1LTA4HCA12CA1CA2
SCHEMBL51059 0.94 GAA (0.56) NR5A1LTA4HCA12CA1CA2
SCHEMBL3226507 0.92 NR5A1 (0.75) NR5A1LTA4HCA12CA1CA2
SCHEMBL10708441 0.92 NR5A1 (0.75) NR5A1LTA4HCA12CA1CA2
SCHEMBL9868706 0.92 NR5A1 (0.75) NR5A1LTA4HCA12CA1CA2
SCHEMBL4264624 0.92 NR5A1 (0.75) NR5A1LTA4HCA12CA1CA2
SCHEMBL7755290 0.92 NR5A1 (0.75) NR5A1LTA4HCA12CA1CA2
SCHEMBL6685661 0.92 NR5A1 (0.75) NR5A1LTA4HCA12CA1CA2

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
EP-2474963-B1 THERMOSENSITIVE RECORDING LABEL JUJO PAPER CO LTD (JP) 2013-11-13 EP disclosed
EP-2474963-A1 HEAT-SENSITIVE RECORDING LABEL Nippon Paper Industries Co., Ltd. (JP) 2012-07-11 EP disclosed