SCHEMBL22073061

SCHEMBL22073061

CO[C@H]1[C@@H]2OC(c3ccccc3)OC[C@H]2OC(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 2/20 0.38
▸ PKM P14618 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.33
▸ METAP2 P50579 2/20 0.32
▸ PTPN1 P18031 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
SCHEMBL20109865 0.95 L3MBTL1 (0.69) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL25503290 0.94 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL25503494 0.94 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL25503299 0.94 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7563649 0.94 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7147270 0.92 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7145707 0.92 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7154526 0.92 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7153425 0.92 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7155230 0.92 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1TSHR

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
WO-2020114418-A1 ANTICOAGULANT PENTASACCHARIDE COMPOUND, COMPOSITION, AND PREPARATION METHOD AND MEDICAL USE THEREOF 南京正大天晴制药有限公司 2020-06-11 — — WO disclosed
Send feedback