SCHEMBL8930648

SCHEMBL8930648

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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
GAA P10253 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL9268014 0.91 ALDH1A1 (0.35) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL8930659 0.84 ALDH1A1 (0.39) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL8930709 0.82 ALDH1A1 (0.40) KDM4ETSHRALDH1A1HSD17B10HPGD
Methyl Alcohol SCHEMBL8930660 0.82 LMNA (0.42) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL8930699 0.78 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8930717 0.76 ALDH1A1 (0.39) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL8045320 0.74 ALDH1A1 (0.34) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8053655 0.74 ALDH1A1 (0.34) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8035909 0.72 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8048144 0.72 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10HPGDLMNA

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
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed