SCHEMBL3260696

SCHEMBL3260696

CC(=O)NC1[C@H](O)CN(C)C[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.35
ASGR1 P07306 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NSD2 O96028 1/20 0.32
ATM Q13315 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
HPSE Q9Y251 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3260691 1.00 OGA (0.35) OGAASGR1ALDH1A1NSD2ATM
SCHEMBL3260689 1.00 OGA (0.35) OGAASGR1ALDH1A1NSD2ATM
SCHEMBL3260694 1.00 OGA (0.35) OGAASGR1ALDH1A1NSD2ATM
SCHEMBL12853788 0.82 ALDH1A1 (0.33) OGAALDH1A1ATMCA1CA2
SCHEMBL8280849 0.81 OGA (0.41) OGAALDH1A1NSD2ATMCYP2C9
SCHEMBL26620628 0.78 OGA (0.32) OGAALDH1A1NSD2ATMCA1
SCHEMBL15521326 0.78 OGA (0.45) OGAHPSECYP2C9CYP2C19
SCHEMBL15521173 0.78 OGA (0.45) OGAHPSECYP2C9CYP2C19
SCHEMBL15521171 0.78 OGA (0.45) OGAHPSECYP2C9CYP2C19
SCHEMBL24903992 0.77 ATM (0.34) OGAALDH1A1ATM

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-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed