SCHEMBL3469918

SCHEMBL3469918

O=C(O)OCC(I)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
EPHX1 P07099 2/20 0.36
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 2/20 0.32
MITF O75030 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL3469913 0.86 EPHX1 (0.42) ALDH1A1EPHX1LMNATSHRGAA
SCHEMBL11240771 0.76 ALDH1A1 (0.37) ALDH1A1EPHX1LMNATSHRTP53
SCHEMBL29037418 0.74 ALDH1A1 (0.36) ALDH1A1EPHX1LMNATSHRMEN1
SCHEMBL22941782 0.66 EPHX1 (0.44) ALDH1A1EPHX1CYP2C9CYP2C19HIF1A
SCHEMBL11055019 0.65 ALDH1A1 (0.45) ALDH1A1LMNATSHRGAAMEN1
SCHEMBL8038274 0.65 EPHX1 (0.39) ALDH1A1EPHX1LMNATP53MAPT
SCHEMBL3469911 0.65 ALDH1A1 (0.38) ALDH1A1EPHX1LMNATSHRCYP2C9
SCHEMBL1766303 0.65
SCHEMBL1864716 0.64 LMNA (0.62) EPHX1LMNAKMT2ACYP2D6
SCHEMBL4631096 0.64 LMNA (0.62) EPHX1LMNAKMT2ACYP2D6

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
EP-2139866-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D., Novo Mesto (SI) 2010-01-06 EP disclosed
WO-2008129077-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D. NOVO MESTO (SI) 2008-10-30 WO disclosed