SCHEMBL6825972

SCHEMBL6825972

CCCCN(CC(=O)OCC)C(=O)C(NC(=O)Nc1cccc(Cl)c1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.48
TRPV1 Q8NER1 1/20 0.45
EPHX1 P07099 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 8/20 0.45
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6825971 1.00 CCKBR (0.48) CCKBRTRPV1EPHX1LMNAMAPT
SCHEMBL6825565 0.87 EPHX1 (0.47) CCKBREPHX1LMNAMAPTEPHX2
SCHEMBL6923321 0.76 MAPK1 (0.47) EPHX1LMNAMAPTSMN1; SMN2THRB
SCHEMBL6825246 0.73 EPHX2 (0.47) CCKBREPHX1LMNAMAPTSMN1; SMN2
SCHEMBL6822145 0.73 CTSK (0.42) HTT
SCHEMBL11136753 0.71 EPHX1 (0.59) EPHX1LMNAMAPTSMN1; SMN2EPHX2
SCHEMBL6825501 0.70 EPHX2 (0.48) CCKBREPHX1LMNAMAPTEPHX2
SCHEMBL6827769 0.70 EPHX2 (0.49) CCKBREPHX1LMNAMAPTEPHX2
SCHEMBL9648047 0.69 CCKBR (0.78) CCKBR
SCHEMBL9648038 0.69 CCKBR (0.78) CCKBR

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed