SCHEMBL14699690

SCHEMBL14699690

CS[C@@H]1OC2COC(c3ccccc3)O[C@H]2CC1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1A P35348 1/20 0.33
LMNA P02545 2/20 0.32
ATM Q13315 2/20 0.32
CYP2C19 P33261 1/20 0.32
MITF O75030 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL17879635 0.82 MEN1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL10801126 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL7151326 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL7149665 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL14817743 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL10148720 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL12355467 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6675152 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL10183460 0.78 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL14699710 0.78 KMT2A (0.57) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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-2557086-A2 Synthetic heparin pentasaccharides Alchemia Limited (AU) 2013-02-13 EP disclosed