SCHEMBL8284597

SCHEMBL8284597

COc1cccc(OCC2CCC(CNC(=O)c3ccc(O)cc3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PTGIR P43119 1/20 0.46
CXCR3 P49682 1/20 0.46
NR1H4 Q96RI1 2/20 0.46

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
SCHEMBL8285513 0.89 POLB (0.53) KMT2AMEN1POLBPTGIRNR1H4
SCHEMBL5513674 0.89 PDE4A (0.54) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL5513669 0.89 PDE4A (0.54) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL8283830 0.87 CXCR3 (0.48) KMT2AMEN1POLBCXCR3NR1H4
SCHEMBL5521806 0.86 HDAC3 (0.51) KMT2AMEN1CXCR3NR1H4
SCHEMBL5523321 0.86 HDAC3 (0.51) KMT2AMEN1CXCR3NR1H4
SCHEMBL5521812 0.86 HDAC3 (0.51) KMT2AMEN1CXCR3NR1H4
SCHEMBL5527587 0.85 LMNA (0.48) HPGDLMNAPDE4APDE4BPDE4C
SCHEMBL5527593 0.85 LMNA (0.48) HPGDLMNAPDE4APDE4BPDE4C
SCHEMBL5527590 0.85 LMNA (0.48) HPGDLMNAPDE4APDE4BPDE4C

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-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed