SCHEMBL3712908

SCHEMBL3712908

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
CREBBP Q92793 1/20 0.51
HSD11B1 P28845 2/20 0.44
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
GPR119 Q8TDV5 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
ATM Q13315 1/20 0.43
USP30 Q70CQ3 2/20 0.42
TACR1 P25103 1/20 0.41
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13594798 0.88 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL12647469 0.88 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL1751571 0.88 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3231094 0.86 ALDH1A1 (0.52) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL8525590 0.86 BRD3 (0.44) HSD11B1JAK2JAK1GPR119TYK2
SCHEMBL3713969 0.86 KDM4E (0.47) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL14181451 0.86 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3715219 0.84 KDM4E (0.46) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3713574 0.84 STS (0.45) JAK2JAK1GPR119TYK2JAK3
SCHEMBL557776 0.83 KDM4E (0.70) 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 3 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
WO-2009049113-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed