SCHEMBL4128726

SCHEMBL4128726

CC(C)(C)[C@]1(NC(=O)O)CC[C@H](Nc2ccccc2N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 12/20 0.37
HDAC3 O15379 11/20 0.37
HDAC2 Q92769 10/20 0.37
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.35
HDAC10 Q969S8 6/20 0.34
HDAC4 P56524 5/20 0.34
HDAC7 Q8WUI4 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
HDAC5 Q9UQL6 5/20 0.34
NCOR2 Q9Y618 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL4115374 0.81 MAPK1 (0.48) GAAMAPK1
SCHEMBL19207222 0.75 HDAC4 (0.48) HDAC4
SCHEMBL4941675 0.74 KDM4E (0.60) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL4941681 0.74 KDM4E (0.60) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL16989782 0.71 KDM4E (0.49) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL16989781 0.71 KDM4E (0.49) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL720368 0.71 MAPT (0.81) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL30657522 0.71 MAPT (0.81) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL20302269 0.70 MAPT (0.55) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL20334339 0.70 MAPT (0.55) KDM4EGAAMAPTHDAC1HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778231-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
EP-1778231-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020415-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed