SCHEMBL6668007

SCHEMBL6668007

[CH2]CCc1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.45
LMNA P02545 2/20 0.42
NR3C1 P04150 1/20 0.42
PPARG P37231 1/20 0.41
GSK3B P49841 1/20 0.41
POLA1 P09884 2/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CNR2 P34972 2/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL6200398 0.89 EGLN1 (0.44) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6197114 0.89 EGLN1 (0.44) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6198112 0.89 EGLN1 (0.47) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6198881 0.89 EGLN1 (0.47) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6199436 0.88 EGLN1 (0.44) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6200315 0.88 EGLN1 (0.44) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6201231 0.88 EGLN1 (0.44) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6201585 0.87 EGLN1 (0.43) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6201167 0.87 EGLN1 (0.43) EGLN1LMNANR3C1PPARGGSK3B
SCHEMBL6201772 0.87 LMNA (0.43) EGLN1LMNANR3C1PPARGGSK3B

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