SCHEMBL7566969

SCHEMBL7566969

CCC(=O)O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@@H]2COC(C)(C)O[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ASGR1 P07306 3/20 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
SCHEMBL7566809 0.81 L3MBTL1 (0.34) —
SCHEMBL15929443 0.81 TLR4 (0.35) KMT2ACA2CA1CA9
SCHEMBL16864091 0.81 TLR4 (0.35) KMT2ACA2CA1CA9
SCHEMBL2336438 0.81 TLR4 (0.35) KMT2ACA2CA1CA9
SCHEMBL15928020 0.81 TLR4 (0.35) KMT2ACA2CA1CA9
SCHEMBL9473759 0.81 MAPK1 (0.38) KMT2AMAPK1CA2CA1CA9
SCHEMBL2503399 0.80 KMT2A (0.47) KMT2AMAPK1CA2CA1CA9
SCHEMBL8823006 0.80 KMT2A (0.47) KMT2AMAPK1CA2CA1CA9
SCHEMBL12391259 0.80 KMT2A (0.47) KMT2AMAPK1CA2CA1CA9
SCHEMBL16367194 0.80 KMT2A (0.47) KMT2AMAPK1CA2CA1CA9

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
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