SCHEMBL8930659

SCHEMBL8930659

CCOC(=O)CSc1c2c(c([C](c3c4c(c(SCC(=O)OCC)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c4c(c(SCC(=O)OCC)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c1OC(C)(C)O3)OC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
ESR1 P03372 1/20 0.35
PRNP P04156 1/20 0.35

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
SCHEMBL8045320 0.88 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8053655 0.88 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930648 0.84 KDM4E (0.38) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930709 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
Methyl Alcohol SCHEMBL8930660 0.80 LMNA (0.42) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930699 0.79 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8046714 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL9268014 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8035909 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8048144 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2

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
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed
EP-0515458-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. HAFSLUND NYCOMED INNOVATION (SE) 1992-12-02 EP disclosed
WO-1991012024-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI HAFSLUND NYCOMED INNOVATION AB (SE) 1991-08-22 WO disclosed