SCHEMBL7521891

SCHEMBL7521891

CCOC(=O)c1c2c(c([C](c3c4c(c(C(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c4c(c(C(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c1OC(C)(C)O3)OC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.36
ALDH1A1 P00352 8/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
FHIT P49789 1/20 0.34
CYP3A4 P08684 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL8206529 0.88 HPGD (0.34) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7515278 0.84 HPGD (0.33) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8045320 0.79 ALDH1A1 (0.34) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8053655 0.79 ALDH1A1 (0.34) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8930717 0.74 ALDH1A1 (0.39) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7514575 0.71 CYP3A4 (0.45) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL12530071 0.70 HPGD (0.45) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8035997 0.66 ALDH1A1 (0.37) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8053610 0.65 HPGD (0.36) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8930666 0.62 TSHR (0.36) HPGDALDH1A1MAPTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871896-B1 A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE NYCOMED IMAGING AS (NO) 2002-01-30 EP disclosed
US-6256527-B1 Method for determining oxygen concentration NYCOMED IMAGING AS (NO) 2001-07-03 US disclosed
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 EP disclosed
US-6063360-A USEFUL AS CONTRAST AGENT FOR OVERHAUSER MAGNETIC RESONACE IMAGING NYCOMED IMAGING A/S (NO) 2000-05-16 US disclosed
EP-0832054-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1998-04-01 EP disclosed
WO-1996039367-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING A/S (NO) 1996-12-12 WO disclosed
US-5530140-A Free radicals NYCOMED IMAGING AS (NO) 1996-06-25 US disclosed