SCHEMBL6566065

SCHEMBL6566065

c1ccc(OCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.65
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
CA7 P43166 1/20 0.61
LMNA P02545 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
KCNA3 P22001 1/20 0.50
MAOA P21397 1/20 0.50
PTGS1 P23219 1/20 0.50
FFAR1 O14842 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL9815480 0.95 CA12 (0.67) SCN4ACA12CA1CA2CA9
SCHEMBL5134624 0.88 SCN4A (0.53) SCN4ACA12CA1CA2CA9
SCHEMBL11381571 0.85 CA12 (0.53) SCN4ACA12CA1CA2CA9
SCHEMBL29721331 0.85 CA12 (0.57) SCN4ACA12CA1CA2CA9
SCHEMBL28827434 0.85 CA12 (0.57) SCN4ACA12CA1CA2CA9
SCHEMBL7312560 0.82 CA12 (0.54) SCN4ACA12CA1CA2CA9
SCHEMBL11365156 0.82 CA12 (0.54) SCN4ACA12CA1CA2CA9
SCHEMBL7321136 0.80 PKM (0.62) CA12CA1CA2CA9CA7
SCHEMBL5150482 0.80 DRD2 (0.49) SCN4ACA12CA1CA2CA9
SCHEMBL5200152 0.80 CA12 (0.53) SCN4ACA12CA1CA2CA9

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
EP-1060904-B1 A thermally sensitive recording medium JUJO PAPER CO LTD (JP) 2004-03-31 EP disclosed