SCHEMBL3715219

SCHEMBL3715219

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccccc23)C(OS(C)(=O)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CREBBP Q92793 1/20 0.46
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
HSD11B1 P28845 2/20 0.41
GPR119 Q8TDV5 4/20 0.39
USP30 Q70CQ3 2/20 0.39
ATM Q13315 1/20 0.39
STS P08842 1/20 0.39
MAPK1 P28482 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
SCHEMBL3712908 0.84 KDM4E (0.51) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL13594798 0.82 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL1751571 0.82 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL12647469 0.82 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3713969 0.81 KDM4E (0.47) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL14181451 0.81 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL557776 0.78 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5255106 0.78 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL30834269 0.78 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
Hydrochloric Acid SCHEMBL1703924 0.78 KDM4E (0.68) KDM4EBRD4ALDH1A1POLBCREBBP

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-2211618-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009049113-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed