SCHEMBL8045748

SCHEMBL8045748

CC1(C)Oc2c(c([C](c3c4c(c(C(=O)OCC(O)CO)c5c3SC(C)(C)O5)OC(C)(C)S4)c3c4c(c(C(=O)OCC(O)CO)c5c3SC(C)(C)O5)OC(C)(C)S4)c3c(c2C(=O)OCC(O)CO)OC(C)(C)S3)S1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.35
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8035997 0.67 ALDH1A1 (0.37) KDM4EMEN1KMT2ALMNA
SCHEMBL11683149 0.64 LMNA (0.40) TDP2KDM4EDUSP3MEN1KMT2A
SCHEMBL7521891 0.60 HPGD (0.36) KDM4EMEN1KMT2A
SCHEMBL28149046 0.60 KDM4E (0.37) TDP2KDM4EDUSP3MEN1KMT2A
SCHEMBL27523171 0.60 KDM4E (0.37) TDP2KDM4EDUSP3MEN1KMT2A
SCHEMBL4983780 0.59 ADRB2 (0.55)
SCHEMBL22509324 0.59 SERPINE1 (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL22509325 0.59 ALDH1A1 (0.41) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL13381403 0.59 ADRB2 (0.44) TDP2KDM4EDUSP3MEN1KMT2A
SCHEMBL10647531 0.58 KDM4E (0.35) TDP2KDM4EDUSP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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