SCHEMBL7567193

SCHEMBL7567193

C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ ASGR1 P07306 2/20 0.32
▸ THRB P10828 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ LGALS8 O00214 1/20 0.30
▸ LGALS3 P17931 1/20 0.30
▸ LGALS4 P56470 1/20 0.30

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
SCHEMBL7889397 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1PKMMAPK1KMT2A
SCHEMBL7886992 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1PKMMAPK1KMT2A
SCHEMBL1743867 0.89 — —
SCHEMBL7136442 0.89 ASGR1 (0.33) ALDH1A1L3MBTL1ASGR1
SCHEMBL5179161 0.89 ASGR1 (0.33) ALDH1A1L3MBTL1ASGR1
SCHEMBL2803932 0.89 — —
SCHEMBL8581103 0.89 ASGR1 (0.33) ALDH1A1L3MBTL1ASGR1
SCHEMBL12560770 0.88 MAPK1 (0.40) ALDH1A1L3MBTL1PKMMAPK1KMT2A
SCHEMBL9786210 0.85 ALDH1A1 (0.32) ALDH1A1CA1CA2
SCHEMBL9786206 0.85 — —

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-0788504-B1 STEREODIRECTED PROCESS FOR SYNTHESIS OF ALPHA-N-ACETYLGALACTOSAMINIDES BIOMIRA INC (CA) 2002-09-04 — — EP disclosed
Send feedback