SCHEMBL9268014

SCHEMBL9268014

CCOC(=O)CSc1c2c(c(C(O)(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.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 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.33
RAB9A P51151 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.31
TP53 P04637 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
SCHEMBL8930709 0.93 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930648 0.91 KDM4E (0.38) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930699 0.88 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8035909 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8048144 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930659 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930804 0.76
Methyl Alcohol SCHEMBL8930660 0.75 LMNA (0.42) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8050700 0.73 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930749 0.73

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
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed