SCHEMBL8035909

SCHEMBL8035909

CCOC(=O)CSc1c2c(c(C(O)(c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c1OC(C)(C)O3)OC(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.31
RAB9A P51151 1/20 0.30
TYMS P04818 1/20 0.30

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
SCHEMBL8048144 1.00 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL8930709 0.89 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL8208364 0.88 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL8210509 0.88 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL8930699 0.84 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL8053655 0.82 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL8045320 0.82 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL9268014 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL8050700 0.79 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL7515278 0.77 HPGD (0.33) ALDH1A1HPGDSMN1; SMN2GAA

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 5 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
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