SCHEMBL4597848

SCHEMBL4597848

CC(C)(C)OC(=O)NC[C@@H](Nc1ncccn1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PCSK9 Q8NBP7 1/20 0.43
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
KDM4A O75164 1/20 0.40
BCHE P06276 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39
BRD4 O60885 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL16379594 0.81 CTSK (0.50) SYKCTSSCTSKKDM4AATM
SCHEMBL15983852 0.81 CTSK (0.50) SYKCTSSCTSKKDM4AATM
SCHEMBL4597846 0.80 CTSK (0.47) CTSSCTSKMEN1NPC1RAB9A
SCHEMBL15979342 0.79 SYK (0.48) SYKCTSSCTSKPCSK9KDM4A
SCHEMBL2726543 0.78 STK17B (0.47) SYKCTSSCTSKPCSK9CKS1B
SCHEMBL2726540 0.78 STK17B (0.47) SYKCTSSCTSKPCSK9CKS1B
SCHEMBL20668483 0.78 STK17B (0.47) SYKCTSSCTSKPCSK9CKS1B
SCHEMBL29678262 0.78 HDAC6 (0.67)
SCHEMBL7834971 0.78 CTSK (0.55) SYKCTSSCTSKKDM4AMEN1
SCHEMBL6503512 0.77 SYK (0.41) SYKCTSSCTSKPCSK9CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed