SCHEMBL6672498

SCHEMBL6672498

CCCOC(=O)Nc1cccc(-c2cc(F)c3ncc(C(=O)NCc4ccc(Cl)cc4)c(O)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.39
CNR2 P34972 4/20 0.39
MELK Q14680 4/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ERN1 O75460 1/20 0.38
HPGD P15428 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NR3C1 P04150 1/20 0.37
GSK3B P49841 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MGLL Q99685 1/20 0.36
HDAC1 Q13547 1/20 0.36
POLA1 P09884 1/20 0.36

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
SCHEMBL6198291 0.81 NPC1 (0.43) SLC2A1CNR2EGLN1
SCHEMBL6197986 0.77 EGLN1 (0.49) CNR2EGLN1HPGDNR3C1GSK3B
SCHEMBL6198898 0.76 EGLN1 (0.44) CNR2EGLN1HPGDNR3C1GSK3B
SCHEMBL6200031 0.76 MEN1 (0.41) CNR2EGLN1HPGDNR3C1
SCHEMBL6666974 0.76 LMNA (0.39) CNR2EGLN1NR3C1GSK3BCYP1A2
SCHEMBL6198141 0.75 EGLN1 (0.47) CNR2EGLN1HPGDNR3C1GSK3B
SCHEMBL6199189 0.75 EGLN1 (0.49) CNR2EGLN1HPGDGSK3BPOLA1
SCHEMBL8122619 0.75 NR3C1 (0.43) CNR2EGLN1HPGDNR3C1GSK3B
SCHEMBL6198854 0.75 EGLN1 (0.54) CNR2EGLN1HPGDNR3C1GSK3B
SCHEMBL6199105 0.75 MEN1 (0.49) CNR2EGLN1ERN1GSK3BPOLA1

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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed